 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_B3LYPDBJ_augccpVDZ.in
 Output=21_phenylethanol_conformer06_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-82007.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     82009.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer06_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0326044860 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.1976644099 Hartrees.
 Leave Link  301 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               9.7 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.71D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.169054217669    
 DIIS: error= 2.60D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.169054217669     IErMin= 1 ErrMin= 2.60D-03
 ErrMax= 2.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-03 BMatP= 4.60D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.60D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.01D-02 MaxDP=4.91D+00              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.41D-02    CP:  1.86D+00
 E= -386.173217565268     Delta-E=       -0.004163347599 Rises=F Damp=F
 DIIS: error= 2.47D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.173217565268     IErMin= 2 ErrMin= 2.47D-04
 ErrMax= 2.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-05 BMatP= 4.60D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.47D-03
 Coeff-Com:  0.486D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.485D-02 0.995D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.90D-03 MaxDP=1.87D-01 DE=-4.16D-03 OVMax= 3.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.36D-04    CP:  1.88D+00  1.04D+00
 E= -386.173187650714     Delta-E=        0.000029914554 Rises=F Damp=F
 DIIS: error= 2.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -386.173217565268     IErMin= 2 ErrMin= 2.47D-04
 ErrMax= 2.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-04 BMatP= 5.49D-05
 IDIUse=3 WtCom= 3.71D-01 WtEn= 6.29D-01
 Coeff-Com: -0.735D-02 0.587D+00 0.421D+00
 Coeff-En:   0.000D+00 0.603D+00 0.397D+00
 Coeff:     -0.272D-02 0.597D+00 0.406D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.25D-04 MaxDP=6.80D-03 DE= 2.99D-05 OVMax= 2.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.31D-04    CP:  1.88D+00  1.04D+00  8.83D-01
 E= -386.173274098526     Delta-E=       -0.000086447812 Rises=F Damp=F
 DIIS: error= 3.46D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.173274098526     IErMin= 4 ErrMin= 3.46D-05
 ErrMax= 3.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-06 BMatP= 5.49D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.434D-02 0.154D+00 0.152D+00 0.699D+00
 Coeff:     -0.434D-02 0.154D+00 0.152D+00 0.699D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=4.52D-03 DE=-8.64D-05 OVMax= 4.31D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.47D-05    CP:  1.89D+00  1.04D+00  8.64D-01  1.15D+00
 E= -386.173275016584     Delta-E=       -0.000000918058 Rises=F Damp=F
 DIIS: error= 2.34D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.173275016584     IErMin= 5 ErrMin= 2.34D-05
 ErrMax= 2.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-07 BMatP= 1.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.140D-02 0.285D-01 0.459D-01 0.378D+00 0.548D+00
 Coeff:     -0.140D-02 0.285D-01 0.459D-01 0.378D+00 0.548D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.72D-05 MaxDP=7.28D-04 DE=-9.18D-07 OVMax= 2.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.89D+00  1.04D+00  8.72D-01  1.11D+00  7.44D-01
 E= -386.173275404954     Delta-E=       -0.000000388370 Rises=F Damp=F
 DIIS: error= 7.74D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.173275404954     IErMin= 6 ErrMin= 7.74D-06
 ErrMax= 7.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-08 BMatP= 3.75D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.427D-03 0.355D-02 0.145D-01 0.157D+00 0.307D+00 0.518D+00
 Coeff:     -0.427D-03 0.355D-02 0.145D-01 0.157D+00 0.307D+00 0.518D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=4.07D-06 MaxDP=1.40D-04 DE=-3.88D-07 OVMax= 1.05D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.97D-06    CP:  1.89D+00  1.04D+00  8.73D-01  1.11D+00  8.04D-01
                    CP:  8.86D-01
 E= -386.173275440737     Delta-E=       -0.000000035783 Rises=F Damp=F
 DIIS: error= 2.50D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.173275440737     IErMin= 7 ErrMin= 2.50D-06
 ErrMax= 2.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.14D-09 BMatP= 3.52D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.789D-04-0.185D-02 0.231D-02 0.372D-01 0.104D+00 0.310D+00
 Coeff-Com:  0.549D+00
 Coeff:     -0.789D-04-0.185D-02 0.231D-02 0.372D-01 0.104D+00 0.310D+00
 Coeff:      0.549D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=6.06D-05 DE=-3.58D-08 OVMax= 2.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.44D-07    CP:  1.89D+00  1.04D+00  8.74D-01  1.11D+00  7.92D-01
                    CP:  9.05D-01  7.99D-01
 E= -386.173275445898     Delta-E=       -0.000000005161 Rises=F Damp=F
 DIIS: error= 4.19D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.173275445898     IErMin= 8 ErrMin= 4.19D-07
 ErrMax= 4.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-10 BMatP= 5.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.882D-05-0.875D-03-0.173D-03 0.154D-02 0.162D-01 0.700D-01
 Coeff-Com:  0.184D+00 0.729D+00
 Coeff:      0.882D-05-0.875D-03-0.173D-03 0.154D-02 0.162D-01 0.700D-01
 Coeff:      0.184D+00 0.729D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=6.03D-07 MaxDP=3.29D-05 DE=-5.16D-09 OVMax= 4.35D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.68D-07    CP:  1.89D+00  1.04D+00  8.74D-01  1.11D+00  7.93D-01
                    CP:  9.16D-01  7.99D-01  8.95D-01
 E= -386.173275446004     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.173275446004     IErMin= 9 ErrMin= 2.13D-07
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-11 BMatP= 1.15D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.949D-05-0.376D-03-0.231D-03-0.149D-02 0.288D-02 0.197D-01
 Coeff-Com:  0.669D-01 0.414D+00 0.499D+00
 Coeff:      0.949D-05-0.376D-03-0.231D-03-0.149D-02 0.288D-02 0.197D-01
 Coeff:      0.669D-01 0.414D+00 0.499D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=6.68D-06 DE=-1.06D-10 OVMax= 2.50D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.89D+00  1.04D+00  8.74D-01  1.11D+00  7.93D-01
                    CP:  9.16D-01  8.02D-01  9.21D-01  9.50D-01
 E= -386.173275446001     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 5.32D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -386.173275446004     IErMin=10 ErrMin= 5.32D-08
 ErrMax= 5.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-12 BMatP= 3.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.411D-05-0.125D-03-0.106D-03-0.968D-03 0.210D-03 0.456D-02
 Coeff-Com:  0.198D-01 0.157D+00 0.262D+00 0.557D+00
 Coeff:      0.411D-05-0.125D-03-0.106D-03-0.968D-03 0.210D-03 0.456D-02
 Coeff:      0.198D-01 0.157D+00 0.262D+00 0.557D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=4.55D-08 MaxDP=1.97D-06 DE= 3.18D-12 OVMax= 8.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.86D-08    CP:  1.89D+00  1.04D+00  8.74D-01  1.11D+00  7.93D-01
                    CP:  9.17D-01  8.02D-01  9.23D-01  9.65D-01  8.37D-01
 E= -386.173275445983     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 1.88D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -386.173275446004     IErMin=11 ErrMin= 1.88D-08
 ErrMax= 1.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-13 BMatP= 2.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.935D-06-0.186D-04-0.245D-04-0.332D-03-0.222D-03-0.547D-04
 Coeff-Com:  0.198D-02 0.309D-01 0.793D-01 0.329D+00 0.560D+00
 Coeff:      0.935D-06-0.186D-04-0.245D-04-0.332D-03-0.222D-03-0.547D-04
 Coeff:      0.198D-02 0.309D-01 0.793D-01 0.329D+00 0.560D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.44D-08 MaxDP=6.05D-07 DE= 1.82D-11 OVMax= 2.95D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.36D-09    CP:  1.89D+00  1.04D+00  8.74D-01  1.11D+00  7.93D-01
                    CP:  9.17D-01  8.03D-01  9.25D-01  9.67D-01  8.51D-01
                    CP:  7.54D-01
 E= -386.173275446001     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 4.28D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin= 9 EnMin= -386.173275446004     IErMin=12 ErrMin= 4.28D-09
 ErrMax= 4.28D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-14 BMatP= 3.36D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-06 0.202D-05-0.242D-05-0.715D-04-0.131D-03-0.449D-03
 Coeff-Com: -0.885D-03-0.805D-03 0.118D-01 0.105D+00 0.272D+00 0.613D+00
 Coeff:      0.109D-06 0.202D-05-0.242D-05-0.715D-04-0.131D-03-0.449D-03
 Coeff:     -0.885D-03-0.805D-03 0.118D-01 0.105D+00 0.272D+00 0.613D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=3.97D-09 MaxDP=1.57D-07 DE=-1.80D-11 OVMax= 5.38D-08

 SCF Done:  E(RB3LYP) =  -386.173275446     A.U. after   12 cycles
            NFock= 12  Conv=0.40D-08     -V/T= 2.0060
 KE= 3.838811214448D+02 PE=-1.748155876282D+03 EE= 5.529038149810D+02
 Leave Link  502 at Thu Aug 12 19:45:17 2021, MaxMem=  5368709120 cpu:             594.7 elap:              74.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.15031163D+03

 Leave Link  801 at Thu Aug 12 19:45:17 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 5.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 4.39D-01 1.31D-01.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 5.53D-02 6.52D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.33D-03 1.54D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.63D-04 3.68D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.21D-05 5.07D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 2.45D-07 6.80D-05.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 2.84D-09 8.83D-06.
     10 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.69D-11 6.58D-07.
      7 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 3.27D-13 7.23D-08.
      1 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 1.94D-14 2.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.133309D+03
      2  0.130438D+01  0.109803D+03
      3 -0.279673D+01  0.274539D+01  0.717113D+02
 Isotropic polarizability for W=    0.085645      104.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.946750D+02 -0.871449D+01  0.100904D+02
      2   0.438930D+02  0.243100D+02 -0.513796D+01
      3   0.507820D+02 -0.155956D+02 -0.495245D+01
      4   0.239491D+02 -0.721080D+02 -0.177023D+02
      5   0.727141D+01 -0.177952D+02  0.847341D+01
      6  -0.607609D+01 -0.243190D+01  0.132228D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.157472D+01 -0.397265D+01 -0.588109D+01
      2   0.133270D+02 -0.735922D+01  0.306013D+01
      3   0.110810D+02  0.410077D+02  0.707769D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.928974D-01  0.270606D+01 -0.288183D+02
      2   0.281901D+01 -0.116262D+02 -0.423086D+02
      3   0.326636D+02  0.116001D+03  0.117191D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.163986D+00 -0.164796D+01 -0.819313D+00
      2  -0.164796D+01  0.141965D+01 -0.180540D+01
      3  -0.819313D+00 -0.180540D+01  0.375299D-01
 OR G Eigenvalues:    -2.4313     0.7464     2.9780  Iso=    -0.4311
 Eigenvectors:
   (1)   0.602880   0.535337   0.591565
   (2)   0.725911  -0.060406  -0.685130
   (3)  -0.331042   0.842475  -0.425025
 w=    0.085645 a.u., Optical Rotation Beta=     -0.4311 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -167.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.16D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.48D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 5.42D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 3.69D-02 4.86D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 5.80D-04 7.43D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 5.73D-06 3.91D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 4.59D-08 3.83D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 1.63D-10 2.17D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 3.55D-13 6.09D-08.
      5 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.47D-15 8.30D-09.
      4 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 7.87D-16 3.79D-09.
      2 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 4.54D-16 3.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.10D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.10D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.94D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133309D+03  0.130438D+01 -0.279673D+01
      2   0.130438D+01  0.109803D+03  0.274539D+01
      3  -0.279673D+01  0.274539D+01  0.717113D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.157472D+01 -0.397265D+01 -0.588109D+01
      2   0.133270D+02 -0.735922D+01  0.306013D+01
      3   0.110810D+02  0.410077D+02  0.707769D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.946750D+02 -0.871449D+01  0.100904D+02
      2   0.438930D+02  0.243100D+02 -0.513796D+01
      3   0.507820D+02 -0.155956D+02 -0.495245D+01
      4   0.239491D+02 -0.721080D+02 -0.177023D+02
      5   0.727141D+01 -0.177952D+02  0.847341D+01
      6  -0.607609D+01 -0.243190D+01  0.132228D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.415184D+01 -0.256577D+01  0.112446D+01 -0.529323D+01  0.379058D+01
      2  -0.256577D+01  0.211896D+01 -0.988318D+00  0.379058D+01 -0.431121D+01
      3   0.112446D+01 -0.988318D+00  0.137789D+01 -0.687302D+00  0.134233D+01
                 6             7             8             9            10 
      1  -0.687302D+00 -0.816731D+00 -0.725819D+00  0.105075D+01 -0.530392D+01
      2   0.134233D+01 -0.725819D+00  0.100298D+00 -0.954968D+00  0.996612D+00
      3  -0.149518D+00  0.105075D+01 -0.954968D+00 -0.567593D+01  0.111502D+01
                11            12            13            14            15 
      1   0.996612D+00  0.111502D+01  0.281251D+01 -0.525859D+01  0.205350D+00
      2  -0.252855D+01  0.370893D+00 -0.525859D+01 -0.232121D+00 -0.862900D+00
      3   0.370893D+00 -0.944629D+00  0.205350D+00 -0.862900D+00  0.198550D+01
                16            17            18            19            20 
      1   0.290407D+01  0.190278D+00 -0.297006D+01 -0.982094D+00  0.193873D+00
      2   0.190278D+00 -0.102271D+01  0.312227D+01  0.193873D+00 -0.257543D+00
      3  -0.297006D+01  0.312227D+01  0.768799D+01  0.176312D+00  0.373372D+00
                21            22            23            24            25 
      1   0.176312D+00  0.578413D+00  0.171561D+00  0.105502D+00  0.273058D+01
      2   0.373372D+00  0.171561D+00 -0.657058D+00  0.648758D+00 -0.684845D+00
      3  -0.155586D+01  0.105502D+00  0.648758D+00  0.291672D+00  0.940325D+00
                26            27            28            29            30 
      1  -0.684845D+00  0.940325D+00  0.242298D+01 -0.424884D+00 -0.197348D+01
      2   0.192887D+01 -0.134377D+01 -0.424884D+00  0.694979D+00  0.338087D+00
      3  -0.134377D+01  0.744288D+01 -0.197348D+01  0.338087D+00  0.146815D+01
                31            32            33            34            35 
      1  -0.211316D+01  0.182817D+01  0.562234D+00 -0.527366D+01  0.746822D+00
      2   0.182817D+01 -0.120329D+01 -0.120856D+01  0.746822D+00 -0.159166D+01
      3   0.562234D+00 -0.120856D+01 -0.189860D+01  0.321246D+01 -0.203583D+01
                36            37            38            39            40 
      1   0.321246D+01 -0.729204D+01  0.240902D+01  0.909926D+00  0.505730D+01
      2  -0.203583D+01  0.240902D+01  0.315825D+01 -0.316359D+00  0.294200D+01
      3  -0.816791D+01  0.909926D+00 -0.316359D+00  0.168326D+01 -0.148446D+00
                41            42            43            44            45 
      1   0.294200D+01 -0.148446D+00  0.451529D+00  0.298512D+00  0.265031D+00
      2  -0.669146D+00  0.186953D+01  0.298512D+00  0.217614D+01 -0.416668D+01
      3   0.186953D+01 -0.401162D+01  0.265031D+00 -0.416668D+01 -0.393425D+01
                46            47            48            49            50 
      1   0.194844D+02 -0.257822D+01 -0.617968D+00 -0.236022D+01 -0.167370D+01
      2  -0.257822D+01  0.278524D+01 -0.116190D+00 -0.167370D+01 -0.230729D+00
      3  -0.617968D+00 -0.116190D+00  0.228721D+01 -0.462176D+00  0.148455D+00
                51            52            53            54            55 
      1  -0.462176D+00 -0.515974D+00 -0.387366D+00  0.398074D+01  0.238840D+00
      2   0.148455D+00 -0.387366D+00 -0.542545D-01 -0.367303D+00  0.343180D-01
      3  -0.647434D+00  0.398074D+01 -0.367303D+00 -0.141686D+01  0.633381D+00
                56            57            58            59            60 
      1   0.343180D-01  0.633381D+00  0.883922D-01  0.216047D+00  0.114542D-01
      2  -0.568351D+00 -0.132660D+00  0.216047D+00  0.186288D+01  0.111405D+01
      3  -0.132660D+00 -0.709853D+00  0.114542D-01  0.111405D+01  0.167906D+01
                61            62            63            64            65 
      1   0.209614D+01  0.778440D+00  0.636517D+00 -0.752306D-01  0.270117D+00
      2   0.778440D+00  0.211173D+01  0.238667D+01  0.270117D+00 -0.898424D+00
      3   0.636517D+00  0.238667D+01  0.617790D+01 -0.595509D+00  0.401726D+00
                66            67            68            69            70 
      1  -0.595509D+00  0.121537D+01  0.401036D+00 -0.461189D-01 -0.171672D+01
      2   0.401726D+00  0.401036D+00  0.537655D+01 -0.261329D+01 -0.594623D+00
      3  -0.606429D+00 -0.461189D-01 -0.261329D+01  0.263846D+01  0.159794D+00
                71            72            73            74            75 
      1  -0.594623D+00  0.159794D+00  0.124630D+02  0.464296D+00 -0.796054D+00
      2  -0.335580D+01  0.276602D+01  0.464296D+00  0.100040D+01  0.573899D-02
      3   0.276602D+01 -0.301295D+01 -0.796054D+00  0.573899D-02  0.103585D+01
                76            77            78            79            80 
      1  -0.212484D+01  0.822050D+00  0.685103D-01 -0.992662D+00 -0.812934D-01
      2   0.822050D+00 -0.266537D+00 -0.255032D+00 -0.812934D-01 -0.451556D+00
      3   0.685103D-01 -0.255032D+00  0.966429D-03  0.133698D+01  0.431918D+00
                81            82            83            84            85 
      1   0.133698D+01 -0.645235D+01 -0.886262D+00 -0.147104D+00  0.965854D+01
      2   0.431918D+00 -0.886262D+00  0.400987D+01  0.760704D+00  0.839112D-01
      3  -0.730267D-01 -0.147104D+00  0.760704D+00  0.190213D+01 -0.393280D-02
                86            87            88            89            90 
      1   0.839112D-01 -0.393280D-02  0.189928D+01  0.325035D-01  0.183324D+01
      2   0.191151D+01 -0.624406D+00  0.325035D-01 -0.106756D+01  0.363418D+01
      3  -0.624406D+00  0.228344D+01  0.183324D+01  0.363418D+01  0.233614D+00
                91            92            93            94            95 
      1   0.513275D+01 -0.174613D+00 -0.255171D+00  0.634660D+01 -0.199094D+00
      2  -0.174613D+00 -0.311673D+01  0.241371D+00 -0.199094D+00  0.108280D+01
      3  -0.255171D+00  0.241371D+00 -0.103627D+01  0.188974D+00 -0.729718D+00
                96            97            98            99           100 
      1   0.188974D+00  0.102871D+00  0.628117D+00 -0.236432D+01 -0.674861D+01
      2  -0.729718D+00  0.628117D+00 -0.553722D+00  0.411976D+01  0.508722D-01
      3   0.268989D+01 -0.236432D+01  0.411976D+01  0.188338D+01 -0.535799D+00
               101           102           103           104           105 
      1   0.508722D-01 -0.535799D+00  0.703016D+00  0.104535D+01  0.589596D+00
      2  -0.357939D+01 -0.230247D-01  0.104535D+01 -0.460005D+00 -0.274038D+00
      3  -0.230247D-01 -0.332940D+01  0.589596D+00 -0.274038D+00 -0.907923D-01
               106           107           108           109           110 
      1  -0.280856D+00  0.754397D+00 -0.575499D+01  0.370573D+01 -0.265468D+00
      2   0.754397D+00  0.331281D+00  0.122569D+00 -0.265468D+00 -0.348168D+01
      3  -0.575499D+01  0.122569D+00  0.111172D+01 -0.539285D+00 -0.716378D+00
               111           112           113           114           115 
      1  -0.539285D+00 -0.681658D+01  0.552025D+00  0.622766D+00 -0.160988D+01
      2  -0.716378D+00  0.552025D+00 -0.268249D+00  0.744755D+00  0.964649D-02
      3  -0.178437D+01  0.622766D+00  0.744755D+00 -0.267057D+01 -0.303261D+01
               116           117           118           119           120 
      1   0.964649D-02 -0.303261D+01 -0.531665D+01  0.223248D+01  0.157096D+00
      2   0.115860D+01 -0.380640D+01  0.223248D+01  0.367383D+01 -0.588421D-01
      3  -0.380640D+01 -0.408287D+00  0.157096D+00 -0.588421D-01  0.153888D+01
               121           122           123           124           125 
      1  -0.805279D+01  0.744642D+00 -0.339083D+00 -0.194293D-01 -0.445636D+00
      2   0.744642D+00 -0.175212D+01  0.619820D+00 -0.445636D+00  0.233414D-01
      3  -0.339083D+00  0.619820D+00 -0.198371D+01  0.854214D+00 -0.376760D+01
               126           127           128           129           130 
      1   0.854214D+00  0.313884D+01  0.227297D+01  0.118329D-01  0.227612D+01
      2  -0.376760D+01  0.227297D+01  0.231882D+01  0.444123D-01  0.279773D+01
      3  -0.178850D+01  0.118329D-01  0.444123D-01  0.573534D-01  0.125333D+00
               131           132           133           134           135 
      1   0.279773D+01  0.125333D+00 -0.260613D+00  0.118419D+00 -0.777209D-01
      2   0.669037D+01  0.353354D+00  0.118419D+00  0.482683D+00  0.612298D-01
      3   0.353354D+00  0.533726D+00 -0.777209D-01  0.612298D-01  0.266981D-01
               136           137           138           139           140 
      1  -0.295641D+01  0.308883D+01  0.548467D+00  0.277210D+01 -0.425175D+01
      2   0.308883D+01 -0.325457D+01 -0.571157D+00 -0.425175D+01  0.892341D+01
      3   0.548467D+00 -0.571157D+00 -0.440563D+00 -0.630334D+00  0.126293D+01
               141           142           143           144           145 
      1  -0.630334D+00  0.607979D+00 -0.796135D+00 -0.158936D+00 -0.135035D+02
      2   0.126293D+01 -0.796135D+00  0.138214D+01  0.147126D+00  0.426843D+00
      3   0.875081D+00 -0.158936D+00  0.147126D+00  0.120148D+00  0.118308D+01
               146           147           148           149           150 
      1   0.426843D+00  0.118308D+01  0.465785D+00 -0.164820D+01 -0.228819D+00
      2  -0.704306D+00 -0.314413D-01 -0.164820D+01  0.129460D+00  0.143004D+00
      3  -0.314413D-01 -0.859815D+00 -0.228819D+00  0.143004D+00  0.704749D-01
               151           152           153           154           155 
      1   0.130203D+01 -0.223225D+00  0.127487D-01 -0.410302D+01 -0.370279D+01
      2  -0.223225D+00  0.623809D-01  0.254929D-01 -0.370279D+01 -0.372801D+01
      3   0.127487D-01  0.254929D-01  0.996177D-01 -0.992973D-01 -0.839469D-01
               156           157           158           159           160 
      1  -0.992973D-01 -0.351258D+01 -0.474810D+01 -0.351977D+00 -0.171956D+00
      2  -0.839469D-01 -0.474810D+01 -0.801400D+01 -0.486712D+00 -0.163990D+00
      3  -0.426740D+00 -0.351977D+00 -0.486712D+00 -0.681415D+00  0.932868D-02
               161           162           163           164           165 
      1  -0.163990D+00  0.932868D-02  0.199552D+01 -0.184224D+01 -0.299910D+00
      2  -0.568114D+00 -0.103519D+00 -0.184224D+01  0.235722D+01  0.502016D+00
      3  -0.103519D+00 -0.657010D-01 -0.299910D+00  0.502016D+00  0.343198D+00
               166           167           168           169           170 
      1  -0.170073D+01  0.238434D+01  0.418468D+00 -0.435989D+00  0.545800D+00
      2   0.238434D+01 -0.791252D+01 -0.119233D+01  0.545800D+00 -0.109208D+01
      3   0.418468D+00 -0.119233D+01 -0.914608D+00  0.665006D-01 -0.271155D+00
               171 
      1   0.665006D-01
      2  -0.271155D+00
      3  -0.240520D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.168204D+01  0.125009D+01  0.330680D+01 -0.263258D+01  0.715968D+00
      2   0.124672D+01 -0.325210D+01  0.104590D+02  0.125214D+00  0.320224D+01
      3   0.231077D+01 -0.110012D+02  0.210076D+01 -0.186126D+01  0.938266D+01
                 6             7             8             9            10 
      1  -0.671513D+01 -0.679032D+00  0.148207D+01 -0.856486D+01 -0.482925D+00
      2  -0.148606D+01  0.395277D+01 -0.105045D+01 -0.124167D+02  0.190726D+01
      3  -0.236765D+01  0.204557D+01 -0.142624D+01  0.879629D+00 -0.236276D+01
                11            12            13            14            15 
      1   0.340450D+00 -0.702916D-01  0.332345D+01  0.204480D+01 -0.414790D+00
      2   0.391698D+00 -0.272501D+01 -0.101040D+01 -0.436818D+01  0.379341D+01
      3   0.339197D+01  0.171085D+00  0.169022D+02  0.141701D+01  0.243653D+01
                16            17            18            19            20 
      1   0.477777D+00  0.380713D+01 -0.132744D+01  0.327182D+00 -0.422953D+00
      2  -0.122134D+02  0.530388D+01  0.123079D+02  0.308392D+01  0.372328D+00
      3   0.617304D+00  0.406205D+01 -0.807292D+01  0.130182D+01  0.116550D+01
                21            22            23            24            25 
      1  -0.239367D+01 -0.199398D+00  0.146112D+01  0.168957D+00  0.961167D+00
      2  -0.388936D+01 -0.137596D+01  0.107992D+01  0.756688D+00 -0.270657D+01
      3  -0.107302D+01  0.107049D+01  0.811121D+00 -0.769189D+00 -0.268816D+00
                26            27            28            29            30 
      1   0.846613D+00  0.114222D+02 -0.232196D+00 -0.151906D+01  0.866226D-01
      2  -0.312935D+01  0.168362D+02 -0.241072D+01  0.692233D+00  0.342126D+01
      3  -0.304036D+01  0.380573D+01  0.616899D+00 -0.371343D+01 -0.436624D+00
                31            32            33            34            35 
      1  -0.203171D+01  0.108221D+01 -0.882820D+00  0.653516D-01  0.242458D+01
      2   0.376074D+00 -0.516063D+00 -0.356871D+01  0.137279D+01 -0.321930D+01
      3  -0.239427D+01  0.205060D+01  0.236705D+01 -0.438197D+00  0.281086D+01
                36            37            38            39            40 
      1  -0.334502D+00 -0.216923D+01 -0.440888D+00 -0.288111D+01 -0.958738D+00
      2  -0.138129D+02  0.343077D+01  0.182466D+00  0.694421D+01  0.106419D+01
      3   0.436899D+01 -0.187816D+02 -0.101902D+02  0.262361D+01 -0.200099D+01
                41            42            43            44            45 
      1  -0.456704D+01  0.363922D+01  0.126918D+01  0.780504D+01  0.412065D+01
      2   0.594248D+01 -0.110210D+02 -0.168733D+01 -0.117920D+02 -0.100905D+02
      3   0.738424D+01 -0.650458D+01  0.210538D+01 -0.611362D+01  0.152143D+02
                46            47            48            49            50 
      1   0.954469D+00  0.132330D+01  0.156618D+01  0.374117D+01 -0.191998D+01
      2  -0.202544D+01 -0.774876D+00 -0.160283D+00 -0.964058D+00 -0.643673D+00
      3   0.822927D+01  0.657730D+01  0.110952D+00  0.181876D+02  0.970659D+00
                51            52            53            54            55 
      1   0.211179D+01  0.445602D+00  0.114307D+02  0.114588D+01 -0.482128D+00
      2  -0.702113D+00 -0.148937D+02 -0.659430D+00 -0.111387D+00  0.284376D+01
      3  -0.163684D+00 -0.229009D+01 -0.294549D+01  0.428419D+00 -0.942879D+00
                56            57            58            59            60 
      1  -0.136687D+00  0.885518D+00 -0.159305D+00 -0.131975D+01 -0.425668D+01
      2  -0.196268D+00 -0.127143D+01 -0.659479D+00  0.288464D+01  0.502780D+01
      3   0.157810D+01  0.145078D+01  0.220801D+01 -0.508957D+01 -0.314903D+01
                61            62            63            64            65 
      1  -0.763160D+00 -0.737414D+00 -0.908261D+01  0.305471D+00 -0.517689D-01
      2  -0.173338D+01  0.623224D+01  0.164096D+02 -0.231167D+01  0.678989D+00
      3   0.143178D+01 -0.569212D+01 -0.751576D+01 -0.289831D+01  0.279477D+01
                66            67            68            69            70 
      1   0.136799D+01  0.187967D+00  0.159498D+01 -0.505487D+01  0.359478D+00
      2  -0.139104D+01  0.832341D+00 -0.637895D+01  0.648981D+01 -0.191818D+01
      3  -0.220967D+01  0.410600D+01 -0.152437D+02  0.783457D+01 -0.203525D+01
                71            72            73            74            75 
      1  -0.143926D+01  0.400392D+01  0.215227D+00 -0.355366D+00 -0.124246D+01
      2   0.623445D+01 -0.704263D+01 -0.564040D+00  0.314437D+00  0.573923D+01
      3   0.926641D+01 -0.826447D+01  0.140783D+02 -0.600297D+01 -0.112495D+01
                76            77            78            79            80 
      1  -0.217751D+00  0.351674D+00 -0.519692D+00 -0.110419D+01  0.505872D+00
      2   0.782440D-01 -0.516142D+00 -0.253055D+00  0.241779D+01  0.115699D+01
      3  -0.293518D+01  0.198079D+01  0.960744D+00 -0.120473D+01  0.140216D+01
                81            82            83            84            85 
      1  -0.175437D+00 -0.147224D+01  0.495064D+00 -0.378565D+01  0.964549D+00
      2   0.169341D+00 -0.285976D+01 -0.466568D-01 -0.214155D+01  0.297156D+01
      3  -0.457847D+00 -0.640941D+01  0.183652D+00  0.148306D+01  0.484808D+01
                86            87            88            89            90 
      1   0.319583D+00 -0.257776D+01 -0.631269D+01  0.231254D+01  0.903057D+00
      2  -0.423893D+00 -0.243778D+00 -0.137063D+02 -0.647649D-01  0.642009D+00
      3   0.455802D+01 -0.769670D+00  0.181817D+01 -0.126016D-02  0.523341D+01
                91            92            93            94            95 
      1   0.235644D+01 -0.944118D+00  0.240851D+01  0.198312D+00  0.181856D+00
      2   0.876341D+00  0.423147D+00  0.325920D+00  0.874878D+00  0.230520D+01
      3   0.359564D+01 -0.121106D+02 -0.143704D+01  0.617736D+01  0.178121D+01
                96            97            98            99           100 
      1  -0.376142D+01  0.571360D+01  0.164094D+01 -0.126179D+01 -0.141776D+00
      2  -0.729688D+01 -0.767537D+01 -0.107381D+02 -0.229172D+01 -0.259718D+00
      3  -0.152512D+01  0.162926D+00 -0.828512D+00  0.561303D+01 -0.844494D+00
               101           102           103           104           105 
      1   0.700236D+00  0.781017D+00 -0.279922D-01 -0.203785D+01  0.358702D+01
      2  -0.190174D+00  0.954335D+01 -0.239723D+01  0.289952D+00  0.152316D+00
      3  -0.780963D+01  0.133242D+00  0.125418D+02 -0.342210D+01 -0.196090D+01
               106           107           108           109           110 
      1   0.122807D+01  0.118694D+02  0.161899D+01 -0.148625D+01 -0.287333D+00
      2   0.932361D+01 -0.583041D+00 -0.245354D+01  0.136740D+01  0.212062D+01
      3   0.201503D+01 -0.686155D+00 -0.721180D+00  0.193585D+01 -0.145416D+02
               111           112           113           114           115 
      1  -0.348280D+01  0.135140D+01  0.373549D+00 -0.283570D+01 -0.671161D+01
      2   0.189123D+01 -0.778947D+00 -0.206531D+01  0.703955D+01 -0.513773D+01
      3  -0.165582D+01  0.316259D+01  0.240291D+01  0.138971D+01  0.271026D+00
               116           117           118           119           120 
      1   0.295116D+01  0.121047D+01  0.216584D+00 -0.301955D+00  0.299697D+01
      2   0.107677D+02  0.233217D+01 -0.318791D+01  0.100752D+01 -0.194486D+01
      3   0.328469D+01 -0.456713D+01 -0.235205D+01 -0.879075D+00 -0.149143D+01
               121           122           123           124           125 
      1  -0.137062D+01 -0.368138D+00 -0.329609D+01  0.537045D+01  0.188256D+01
      2   0.413476D+00  0.652659D+00  0.147443D+01 -0.141711D+02  0.128080D+01
      3   0.908620D+00 -0.881934D+01  0.863370D-01 -0.273407D+01  0.438472D+00
               126           127           128           129           130 
      1  -0.150597D+01  0.195110D+00  0.241847D+00 -0.125300D+01 -0.281400D+00
      2   0.188021D+01 -0.643654D+00 -0.138666D+00  0.319049D+00 -0.679575D-01
      3  -0.593073D+01  0.996067D+01  0.469545D+01 -0.522971D-01  0.827212D+01
               131           132           133           134           135 
      1  -0.319850D+00 -0.322611D+01  0.491332D+00  0.183742D+01 -0.698592D-01
      2  -0.465760D+00  0.959556D+00 -0.179625D+01 -0.412471D+00  0.302734D-02
      3   0.702509D+01  0.447180D+00 -0.406436D+00  0.237213D+00 -0.546520D-02
               136           137           138           139           140 
      1  -0.267354D+00  0.157290D+00  0.189656D+01  0.170744D+00  0.135748D+00
      2  -0.547574D+00  0.798857D+00  0.196937D+01  0.625720D+00 -0.212935D+01
      3   0.934793D+00 -0.335607D+01 -0.446725D+00 -0.204620D+01  0.135485D+02
               141           142           143           144           145 
      1  -0.411192D+01 -0.533978D+00  0.192717D+01 -0.355115D+00 -0.149769D+00
      2  -0.300764D+01 -0.479148D+00  0.491851D+00 -0.340897D+00 -0.186775D+01
      3   0.179409D+01 -0.431744D+00  0.167569D+01 -0.231354D-01 -0.398713D+00
               146           147           148           149           150 
      1  -0.351873D+00  0.251972D+00 -0.195846D+00 -0.674442D-03 -0.425259D+00
      2  -0.195309D-01  0.613279D+01  0.824619D+00 -0.287299D+00 -0.381754D+00
      3  -0.519527D+01  0.108317D+00 -0.405604D+01  0.319983D+00  0.363171D+00
               151           152           153           154           155 
      1  -0.591062D-01  0.510181D+00 -0.115575D-01  0.256651D+00  0.452391D+00
      2  -0.302624D+01 -0.164858D-01 -0.514088D+00 -0.498564D+00 -0.415814D+00
      3  -0.907424D+00  0.529362D+00  0.192216D+00 -0.127593D+01 -0.468599D+01
               156           157           158           159           160 
      1  -0.205363D+01 -0.119370D+00  0.145768D+00 -0.364848D+01  0.800906D+00
      2   0.230992D+01  0.181097D+00  0.379422D+00  0.293210D+01 -0.833890D+00
      3  -0.118104D-01 -0.326511D+01 -0.126043D+02 -0.512729D+00 -0.339659D+00
               161           162           163           164           165 
      1   0.160879D+01 -0.158928D+00  0.374684D+00 -0.148660D+00  0.161445D+01
      2  -0.654888D+00  0.151264D+00  0.102184D+01 -0.575887D+00  0.324446D+00
      3  -0.132372D+01 -0.183241D+00 -0.734959D+01  0.419721D+01  0.385227D+00
               166           167           168           169           170 
      1  -0.344094D+00  0.753697D+00 -0.363646D+01 -0.367393D+00  0.223655D+01
      2  -0.111338D+01  0.105811D+01 -0.664692D+00 -0.174421D+01  0.198929D+00
      3   0.682998D+01 -0.780045D+01 -0.135841D+01  0.589242D+00 -0.164944D+01
               171 
      1  -0.204796D+00
      2  -0.255710D+00
      3   0.620256D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174048D+02 -0.268264D+01 -0.106760D+01 -0.561042D+01 -0.207102D+01
      2  -0.798712D+01 -0.309647D+01 -0.272134D+01 -0.123406D+01  0.150119D+02
      3  -0.941769D+01  0.577911D+01  0.378894D+01  0.684447D+01 -0.129409D+02
      4  -0.174878D+02  0.222297D+02 -0.380403D+01  0.292150D+02 -0.262118D+02
      5   0.708955D+01 -0.434808D+01  0.149943D+02 -0.588690D+01  0.703063D+01
      6  -0.321507D+01  0.307326D+01 -0.558428D+01  0.524150D+01 -0.753534D+01
                 6             7             8             9            10 
      1   0.305779D+01  0.468687D+00 -0.810302D+00  0.118135D+02  0.116390D+02
      2  -0.205631D+00  0.171412D+01 -0.291251D+01  0.268739D+01 -0.689634D+01
      3  -0.285215D+01 -0.218281D+01  0.372281D+01 -0.145009D+02 -0.474267D+01
      4   0.735085D+01 -0.627007D+01  0.401996D+01 -0.924968D+01  0.526787D+01
      5  -0.370146D+01  0.126980D+02 -0.669247D+01 -0.182123D+02  0.477472D+01
      6   0.959623D+01 -0.546276D+01  0.534454D+01  0.810083D+01 -0.229436D+01
                11            12            13            14            15 
      1  -0.173837D+01  0.109114D+01 -0.728595D+01 -0.929160D+01  0.915288D+00
      2  -0.177147D+01 -0.201774D+01 -0.737158D+00 -0.159335D+01  0.153658D+01
      3   0.350984D+01  0.926602D+00  0.802311D+01  0.108850D+02 -0.245187D+01
      4  -0.237033D+02  0.455789D+00 -0.353431D+02 -0.236022D+01 -0.520001D+01
      5   0.525115D+00 -0.126505D+02  0.369521D+01 -0.450189D+01  0.932904D+01
      6  -0.213743D+01  0.981402D+00 -0.284744D+01  0.189640D+01 -0.658158D+01
                16            17            18            19            20 
      1  -0.109799D+02  0.211651D+01 -0.153242D+01 -0.510252D+00 -0.218937D+01
      2  -0.743862D+01  0.645139D+01  0.114518D+02 -0.447794D+00  0.113824D+01
      3   0.184185D+02 -0.856790D+01 -0.991938D+01  0.958045D+00  0.105113D+01
      4   0.504853D+01 -0.927905D+01  0.172834D+02  0.148513D-01 -0.215958D+01
      5  -0.175740D+02  0.158678D+02  0.306914D+02  0.129992D+01  0.475027D+00
      6   0.940127D+01  0.108163D+01 -0.669142D+01 -0.634221D-01 -0.152413D+01
                21            22            23            24            25 
      1   0.620144D+01 -0.521967D-01 -0.271605D+01  0.508595D-01  0.596776D+01
      2  -0.309969D+00 -0.987333D+00  0.220764D+01 -0.280049D+01 -0.351430D+01
      3  -0.589147D+01  0.103953D+01  0.508407D+00  0.274963D+01 -0.245347D+01
      4  -0.676134D+00  0.126100D+01 -0.171926D+01  0.214734D+01 -0.562829D+01
      5  -0.442591D+01  0.153937D+00  0.177629D+01  0.141550D+01  0.674283D+01
      6   0.330199D+01  0.549523D+00 -0.167753D+01  0.297871D+01 -0.166037D+01
                26            27            28            29            30 
      1   0.265014D+01 -0.149177D+02  0.606588D+01 -0.945798D+00 -0.448258D+01
      2  -0.103845D+01 -0.935550D+01 -0.698431D+01  0.138209D+01  0.507132D+01
      3  -0.161168D+01  0.242732D+02  0.918428D+00 -0.436295D+00 -0.588745D+00
      4   0.697474D+01 -0.321806D+01 -0.307243D+01  0.763572D+01  0.278090D+01
      5  -0.500153D+01  0.265468D+02 -0.108076D+02  0.271701D+01  0.135698D+02
      6   0.513609D+01 -0.150895D+02  0.279176D+01 -0.281646D+00 -0.140667D+01
                31            32            33            34            35 
      1  -0.309727D+00 -0.248724D+01 -0.259180D+01 -0.314609D+01 -0.341602D+01
      2   0.188443D+01 -0.283716D+00 -0.660816D+00  0.105306D+02 -0.232702D+01
      3  -0.157470D+01  0.277096D+01  0.325262D+01 -0.738453D+01  0.574304D+01
      4   0.108516D+02 -0.578877D+01 -0.570438D+01  0.403257D+01 -0.725036D+01
      5   0.367307D+01 -0.508929D+01 -0.835837D+01  0.204518D+02 -0.885134D+01
      6  -0.203096D+01  0.415127D+01  0.946562D+01 -0.539236D+01  0.577165D+01
                36            37            38            39            40 
      1  -0.102622D+02 -0.555609D+02  0.133894D+01  0.714700D+01  0.173317D+02
      2  -0.167861D+02  0.349616D+02  0.580918D+01 -0.477675D+01 -0.394621D+01
      3   0.270482D+02  0.205993D+02 -0.714812D+01 -0.237025D+01 -0.133855D+02
      4  -0.102033D+02  0.517182D+01  0.212669D+02 -0.841121D-01  0.219257D+02
      5  -0.345546D+02  0.789308D+01 -0.128556D+01  0.100472D+02 -0.804047D+00
      6   0.105311D+02  0.341187D+01 -0.111147D+01  0.642991D+01 -0.137206D+00
                41            42            43            44            45 
      1   0.183219D+02 -0.519432D+01  0.756963D+01 -0.353603D+01  0.170289D+02
      2  -0.712911D+01  0.671481D+01 -0.177375D+01  0.658706D+01 -0.119557D+02
      3  -0.111928D+02 -0.152049D+01 -0.579588D+01 -0.305103D+01 -0.507322D+01
      4   0.373732D+01  0.868845D+01  0.290974D+01  0.102869D+02 -0.176244D+02
      5   0.883338D+01 -0.186601D+02  0.206369D+01 -0.197986D+02 -0.198422D+02
      6   0.899273D+01 -0.119088D+02  0.932480D-01 -0.143486D+02 -0.665503D+01
                46            47            48            49            50 
      1  -0.223062D+02 -0.696120D+00 -0.121721D+01  0.432372D+01 -0.297559D+01
      2   0.769696D+01  0.694502D+00 -0.558989D+00  0.196126D+00  0.107765D+02
      3   0.146092D+02  0.161770D-02  0.177619D+01 -0.451984D+01 -0.780086D+01
      4  -0.114946D+02  0.753443D+01 -0.239905D+00 -0.779602D+01  0.182204D+01
      5  -0.261833D+01 -0.212104D+00  0.352233D+01 -0.196025D+01  0.178475D+00
      6  -0.878753D+00 -0.336275D+00 -0.208276D+01  0.699377D+00  0.190136D+01
                51            52            53            54            55 
      1  -0.267460D-01  0.570264D+01  0.384662D+00 -0.918027D+01  0.388375D+01
      2   0.234214D+01 -0.223259D+01  0.352476D+00 -0.401057D+01 -0.283724D+01
      3  -0.231540D+01 -0.347005D+01 -0.737137D+00  0.131908D+02 -0.104650D+01
      4   0.677563D+00 -0.691287D+00  0.281642D+01 -0.170565D+01  0.468918D+00
      5  -0.203660D+01  0.479337D+01 -0.186803D+01 -0.139831D+00  0.223631D+01
      6  -0.425371D+01  0.132013D-01  0.490141D+01 -0.116479D+01  0.222725D+01
                56            57            58            59            60 
      1   0.222851D+01  0.417440D+01  0.156739D+01 -0.679920D+01 -0.441257D+01
      2  -0.208819D+01 -0.117902D+01  0.703257D-01  0.716201D+01  0.451409D+01
      3  -0.140318D+00 -0.299538D+01 -0.163771D+01 -0.362809D+00 -0.101519D+00
      4  -0.148624D+01  0.159237D+01  0.338237D+01  0.868966D+01  0.504605D+01
      5   0.448895D+00 -0.414801D+00  0.671355D+00  0.519762D+01  0.889295D+01
      6  -0.694886D+00 -0.171040D+01  0.689361D+00  0.562674D+01  0.109235D+02
                61            62            63            64            65 
      1   0.783506D+01 -0.409749D+01 -0.127283D+02  0.890527D+00  0.494202D+01
      2  -0.434751D+01  0.406217D+01  0.100613D+00  0.542079D-01 -0.434597D+01
      3  -0.348755D+01  0.353180D-01  0.126276D+02 -0.944735D+00 -0.596052D+00
      4   0.796499D+01  0.105477D+02  0.104626D+02  0.251153D+00 -0.108157D+01
      5   0.676862D+01  0.119600D+02  0.299744D+02 -0.207597D+01  0.347872D+00
      6   0.191500D+01  0.111645D+02  0.191319D+02 -0.254999D+01  0.227399D+01
                66            67            68            69            70 
      1  -0.508477D+01  0.478849D+01 -0.159403D+02  0.885581D+01 -0.610098D+01
      2   0.260602D+01 -0.199220D+01  0.225695D+02 -0.100965D+02  0.275866D+01
      3   0.247875D+01 -0.279629D+01 -0.662920D+01  0.124069D+01  0.334232D+01
      4  -0.823027D+00  0.706512D+01  0.242945D+02 -0.116038D+02 -0.673187D+01
      5  -0.105802D+01 -0.160246D+01 -0.120202D+02  0.126581D+02  0.383220D+01
      6  -0.298376D+01 -0.102782D+01 -0.138090D+02  0.129309D+02  0.106854D+01
                71            72            73            74            75 
      1   0.896416D+01 -0.119452D+02  0.880462D+02  0.999761D+00 -0.540828D+01
      2  -0.938834D+01  0.562153D+01 -0.474953D+02  0.162185D+01  0.356320D+01
      3   0.424186D+00  0.632371D+01 -0.405509D+02 -0.262161D+01  0.184508D+01
      4  -0.154417D+02  0.117165D+02  0.180997D+02  0.106188D+02 -0.103519D+01
      5   0.129470D+02 -0.130205D+02 -0.796180D+01 -0.103561D+00  0.106386D+02
      6   0.137776D+02 -0.132557D+02 -0.193405D+01 -0.296191D+00  0.251886D+01
                76            77            78            79            80 
      1  -0.139384D+02  0.526553D+01  0.115893D+01 -0.605241D+01  0.409636D+00
      2   0.958247D+01 -0.222577D+01 -0.126924D+01  0.407464D+01 -0.102534D+01
      3   0.435596D+01 -0.303976D+01  0.110304D+00  0.197777D+01  0.615700D+00
      4   0.753651D+01 -0.120985D+01 -0.141380D+01 -0.161865D+01 -0.243184D+01
      5   0.854390D+00 -0.162238D+01 -0.898019D+00  0.126383D+02  0.205430D+01
      6  -0.199714D+00 -0.578142D+00  0.165240D+01  0.185303D+01  0.255703D+01
                81            82            83            84            85 
      1   0.617373D+01  0.709562D+01 -0.161204D+02 -0.252017D+01  0.109364D+01
      2  -0.446026D+01 -0.614128D+01  0.111806D+02  0.819058D+00 -0.121920D+02
      3  -0.171347D+01 -0.954338D+00  0.493984D+01  0.170112D+01  0.110983D+02
      4   0.299759D+01 -0.550727D+01 -0.155665D+02  0.604223D+00  0.448660D+01
      5  -0.156305D+01 -0.146623D+01  0.904664D+00 -0.379799D+01  0.854141D+00
      6   0.243673D+00  0.277477D+01  0.669228D+00  0.813304D+01 -0.440270D+01
                86            87            88            89            90 
      1   0.116191D+01  0.124699D+01 -0.718430D+00  0.420585D+01 -0.152600D+02
      2  -0.633099D+01 -0.161885D+01 -0.778030D+00 -0.500801D+01  0.297811D+01
      3   0.516908D+01  0.371865D+00  0.149646D+01  0.802161D+00  0.122819D+02
      4  -0.130912D+02 -0.131049D+01 -0.929052D+00  0.260811D+01 -0.325963D+01
      5  -0.129309D+01  0.144924D+01  0.290662D+01 -0.399126D+01  0.195510D+01
      6  -0.204601D+01  0.696655D+01  0.377215D+01  0.148634D+02 -0.151171D+01
                91            92            93            94            95 
      1   0.111384D+01  0.210941D+02  0.101125D+00 -0.276175D+02  0.931994D+01
      2  -0.225814D+01 -0.128050D+02 -0.105724D+00  0.270141D+02 -0.152709D+02
      3   0.114430D+01 -0.828904D+01  0.459924D-02  0.603347D+00  0.595094D+01
      4   0.122470D+02 -0.423887D+01 -0.482392D+01  0.802465D+01  0.680239D+01
      5   0.338262D+01 -0.497596D+01 -0.547900D+00 -0.960151D+00  0.452074D+01
      6  -0.513029D+01  0.378062D+01 -0.600019D+01  0.343072D+01 -0.676008D+01
                96            97            98            99           100 
      1   0.868145D+00 -0.104190D+01 -0.339220D+01 -0.485344D+01 -0.104952D+02
      2  -0.489566D+01  0.433223D+01 -0.264327D+01 -0.453853D+01  0.520683D+01
      3   0.402752D+01 -0.329033D+01  0.603547D+01  0.939197D+01  0.528832D+01
      4   0.453227D+01 -0.517525D+01  0.739665D+01 -0.170145D+02  0.140218D+01
      5  -0.152862D+02  0.151547D+02 -0.166701D+02 -0.530964D+01  0.841462D+01
      6   0.815302D+01 -0.683483D+01  0.159906D+02  0.322343D+01  0.325995D+00
               101           102           103           104           105 
      1   0.189137D+01  0.657486D+01 -0.264398D+01 -0.199633D+02 -0.345629D+01
      2  -0.129997D+01 -0.350367D+01  0.205669D+01  0.183686D+02  0.617104D+01
      3  -0.591400D+00 -0.307119D+01  0.587288D+00  0.159469D+01 -0.271475D+01
      4   0.255885D+02  0.239366D+00 -0.229466D+02  0.551970D+01  0.325678D+01
      5   0.193155D+00  0.216217D+02 -0.722243D+01  0.253089D+01 -0.205993D-02
      6  -0.533240D+00 -0.152981D+01  0.320890D+01  0.218125D+01 -0.783289D+01
               106           107           108           109           110 
      1   0.907309D+01 -0.416349D+01  0.153933D+02  0.177752D+01 -0.226616D+02
      2  -0.326391D+01  0.339089D+01 -0.197666D+02 -0.405614D+01  0.122451D+02
      3  -0.580917D+01  0.772604D+00  0.437332D+01  0.227861D+01  0.104165D+02
      4  -0.750270D+01 -0.127504D+01 -0.839147D+00 -0.177468D+02  0.170195D+01
      5   0.377781D+02 -0.247813D+00 -0.515794D+01  0.169759D+00  0.462653D+01
      6  -0.941479D+00  0.552277D+01 -0.277668D+01  0.323166D+01  0.251621D+01
               111           112           113           114           115 
      1  -0.346433D+01  0.280709D+02  0.610541D+01  0.898060D+00  0.580918D+01
      2  -0.347152D+00 -0.281124D+02 -0.122213D+02 -0.707645D+00 -0.594396D+01
      3   0.381148D+01  0.415733D-01  0.611593D+01 -0.190414D+00  0.134784D+00
      4   0.457222D+01  0.498426D+01 -0.140010D+02 -0.583809D+01  0.200756D+01
      5   0.393827D+01 -0.179945D+01 -0.525898D+01  0.152402D+02  0.194817D+02
      6   0.754099D+01 -0.466907D+01 -0.335531D+01  0.750333D+01  0.805705D+01
               116           117           118           119           120 
      1   0.510350D+01 -0.517493D-01  0.896520D+01  0.124516D+02 -0.934616D-01
      2  -0.612667D+01 -0.711583D+01 -0.668140D+01 -0.787286D+01  0.195031D+01
      3   0.102317D+01  0.716758D+01 -0.228380D+01 -0.457875D+01 -0.185685D+01
      4  -0.416745D+01  0.162316D+02  0.102981D+02 -0.190769D+02 -0.300119D+01
      5   0.166446D+02  0.503183D+01 -0.855331D+00 -0.330817D+01 -0.517745D+01
      6   0.147203D+02 -0.129383D+01 -0.224161D+01  0.158680D+01 -0.609959D+01
               121           122           123           124           125 
      1  -0.288968D+01  0.557580D+01  0.382561D+01 -0.167806D+01 -0.122412D-01
      2   0.101431D+02 -0.110306D+02 -0.429475D+01  0.296675D+01 -0.411218D+01
      3  -0.725344D+01  0.545478D+01  0.469132D+00 -0.128869D+01  0.412442D+01
      4   0.100896D+02  0.139886D+02  0.178743D+01  0.213446D+01  0.335342D+01
      5   0.931650D+00  0.162279D+01  0.254143D+00 -0.802820D+00  0.565670D+01
      6   0.383508D+01 -0.655126D+01  0.618346D+01 -0.380187D+01  0.142453D+02
               126           127           128           129           130 
      1  -0.171366D+02 -0.247757D+01 -0.599725D+01 -0.462246D-01 -0.807474D+01
      2   0.237802D+01  0.560196D+01  0.912434D+01  0.252984D+00  0.116411D+02
      3   0.147586D+02 -0.312439D+01 -0.312709D+01 -0.206759D+00 -0.356634D+01
      4   0.576745D+01  0.847788D+01  0.774053D+01  0.288918D+00  0.725425D+01
      5   0.474979D+01  0.342624D+00  0.464350D+00  0.944353D+00  0.551179D+00
      6   0.474510D+01 -0.323904D+00 -0.159021D+00  0.104884D+01  0.624174D+00
               131           132           133           134           135 
      1  -0.241809D+02 -0.127794D+01 -0.100544D+01 -0.178154D+01 -0.673896D+00
      2   0.334891D+02  0.124657D+01  0.983983D+00  0.220068D+01  0.123769D+01
      3  -0.930818D+01  0.313693D-01  0.214568D-01 -0.419138D+00 -0.563797D+00
      4   0.643780D+01  0.240217D+00  0.325042D+00 -0.298513D+00  0.115790D+01
      5   0.898967D+00  0.931647D+00  0.430491D+00  0.680843D+00  0.193704D-01
      6   0.149585D+01  0.472140D+01  0.432754D+00  0.115794D+01  0.560821D+00
               136           137           138           139           140 
      1   0.840518D+01 -0.681424D+01 -0.908474D+00 -0.857400D+00 -0.106609D+02
      2   0.282686D+01 -0.496894D+01 -0.241800D+00 -0.119578D+02  0.338573D+02
      3  -0.112320D+02  0.117832D+02  0.115027D+01  0.128152D+02 -0.231964D+02
      4  -0.235247D+02  0.271648D+02  0.424423D+01  0.290371D+02 -0.502405D+02
      5  -0.352253D+01  0.381047D+01  0.456363D+01  0.376454D+01 -0.593554D+01
      6   0.281808D+01 -0.324201D+01 -0.267934D+01 -0.393958D+01  0.816622D+01
               141           142           143           144           145 
      1  -0.158962D+01 -0.743012D+00 -0.667617D+00 -0.566123D+00  0.103169D+03
      2   0.328630D+01 -0.146677D+01  0.384790D+01  0.173085D+01 -0.593499D+02
      3  -0.169667D+01  0.220978D+01 -0.318028D+01 -0.116472D+01 -0.438188D+02
      4  -0.684748D+01  0.545087D+01 -0.817495D+01 -0.226901D+01 -0.608029D+01
      5  -0.473639D+01  0.166810D+01 -0.159385D+01 -0.125164D+01 -0.107346D+02
      6   0.711150D+01 -0.155977D+01  0.269573D+01  0.172187D+01 -0.113247D+01
               146           147           148           149           150 
      1  -0.291367D+01 -0.759149D+01 -0.269987D+01  0.971873D+01  0.101165D+01
      2   0.139519D+01  0.516247D+01  0.117026D+01 -0.490170D+01 -0.914257D+00
      3   0.151848D+01  0.242902D+01  0.152961D+01 -0.481703D+01 -0.973890D-01
      4   0.834969D+01  0.413217D+00  0.156268D+02 -0.152347D+01 -0.123187D+01
      5   0.241238D+00  0.992222D+01  0.187733D+01 -0.114730D+01 -0.594049D+00
      6  -0.527120D+00 -0.118408D+00 -0.908019D+00 -0.123587D+00  0.177574D+01
               151           152           153           154           155 
      1  -0.976766D+01  0.118251D+01  0.282968D+01  0.158122D+02  0.112301D+02
      2   0.579506D+01 -0.849159D+00 -0.150139D+01 -0.365242D+00  0.320741D+01
      3   0.397260D+01 -0.333354D+00 -0.132829D+01 -0.154470D+02 -0.144375D+02
      4   0.235690D+01 -0.989014D+00 -0.425711D+00  0.297179D+02  0.306766D+02
      5   0.209476D+01 -0.301070D+00 -0.180708D+01  0.186878D+01  0.139881D+01
      6  -0.436493D-01  0.629766D+00  0.367434D+00  0.319919D+00  0.152941D+00
               156           157           158           159           160 
      1   0.652050D+00  0.551550D+01 -0.160592D+01 -0.424099D-01 -0.846668D+00
      2  -0.149179D+00  0.974643D+01  0.245166D+02  0.575592D+00  0.112459D+01
      3  -0.502871D+00 -0.152619D+02 -0.229107D+02 -0.533182D+00 -0.277921D+00
      4   0.947886D+00  0.334283D+02  0.490981D+02  0.294335D+01  0.116210D+01
      5   0.464487D+01  0.285275D+01  0.384973D+01  0.446382D+01  0.128865D+01
      6   0.254310D+01  0.163465D+01  0.243626D+01  0.571566D+01  0.112587D+01
               161           162           163           164           165 
      1  -0.107077D+01 -0.336204D+00 -0.517325D+01  0.832226D+01  0.221360D+01
      2   0.207012D+01  0.128476D+01  0.627923D+01 -0.104192D+02 -0.164954D+01
      3  -0.999344D+00 -0.948555D+00 -0.110598D+01  0.209693D+01 -0.564060D+00
      4   0.259659D+01  0.194344D+01 -0.519898D+01  0.660879D+01  0.109379D+01
      5   0.107307D+01  0.199632D+00 -0.226309D+00  0.825687D+00  0.137656D+01
      6   0.173904D+01  0.696348D+00  0.186262D+01 -0.320962D+01 -0.230291D+01
               166           167           168           169           170 
      1   0.841898D+01 -0.299795D+02 -0.512770D+01  0.151895D+01 -0.389952D+01
      2  -0.106068D+02  0.394328D+02  0.473724D+01 -0.165672D+01  0.463803D+01
      3   0.218781D+01 -0.945330D+01  0.390456D+00  0.137772D+00 -0.738512D+00
      4   0.522574D+01 -0.293982D+01 -0.317098D+00  0.115441D+01 -0.129251D+01
      5   0.356151D+00  0.429094D+00 -0.361438D+00  0.893724D+00 -0.563872D+00
      6  -0.254751D+01  0.833360D+01  0.661025D+01 -0.730634D+00  0.285269D+01
               171 
      1  -0.160238D+01
      2   0.221214D+01
      3  -0.609758D+00
      4  -0.175136D+01
      5  -0.110620D+01
      6   0.186161D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:58:48 2021, MaxMem=  5368709120 cpu:            6465.3 elap:             810.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15094 -10.24303 -10.19729 -10.19280 -10.19217
 Alpha  occ. eigenvalues --  -10.19190 -10.19160 -10.18874 -10.18004  -1.03002
 Alpha  occ. eigenvalues --   -0.86688  -0.78520  -0.75503  -0.73327  -0.64685
 Alpha  occ. eigenvalues --   -0.61108  -0.59110  -0.53402  -0.49122  -0.47043
 Alpha  occ. eigenvalues --   -0.46261  -0.44796  -0.43367  -0.42623  -0.38693
 Alpha  occ. eigenvalues --   -0.38650  -0.37034  -0.36778  -0.34860  -0.32646
 Alpha  occ. eigenvalues --   -0.29002  -0.26223  -0.25354
 Alpha virt. eigenvalues --   -0.02543  -0.01856  -0.01003   0.00101   0.00545
 Alpha virt. eigenvalues --    0.01016   0.02223   0.02392   0.03494   0.04042
 Alpha virt. eigenvalues --    0.04997   0.05700   0.06153   0.06505   0.08471
 Alpha virt. eigenvalues --    0.08568   0.08817   0.09267   0.09333   0.09668
 Alpha virt. eigenvalues --    0.09816   0.10253   0.10380   0.10779   0.11251
 Alpha virt. eigenvalues --    0.12181   0.12331   0.12701   0.12970   0.13185
 Alpha virt. eigenvalues --    0.13650   0.14560   0.14718   0.15339   0.15866
 Alpha virt. eigenvalues --    0.16436   0.18001   0.18723   0.19127   0.19817
 Alpha virt. eigenvalues --    0.20723   0.21414   0.21973   0.22413   0.22698
 Alpha virt. eigenvalues --    0.23655   0.23867   0.24273   0.24722   0.25212
 Alpha virt. eigenvalues --    0.25462   0.25613   0.26808   0.26949   0.27594
 Alpha virt. eigenvalues --    0.27876   0.28428   0.29172   0.29517   0.30583
 Alpha virt. eigenvalues --    0.31126   0.31703   0.32687   0.33288   0.33596
 Alpha virt. eigenvalues --    0.34568   0.34799   0.35498   0.35936   0.37103
 Alpha virt. eigenvalues --    0.37423   0.38640   0.40125   0.40545   0.40896
 Alpha virt. eigenvalues --    0.41891   0.42837   0.43313   0.43703   0.44820
 Alpha virt. eigenvalues --    0.45033   0.45894   0.46597   0.47931   0.48302
 Alpha virt. eigenvalues --    0.48980   0.50169   0.50707   0.50866   0.52204
 Alpha virt. eigenvalues --    0.52612   0.53585   0.54394   0.55150   0.55239
 Alpha virt. eigenvalues --    0.56196   0.56684   0.57522   0.57692   0.57795
 Alpha virt. eigenvalues --    0.58913   0.59836   0.60619   0.61269   0.62341
 Alpha virt. eigenvalues --    0.62713   0.64174   0.64462   0.65105   0.65549
 Alpha virt. eigenvalues --    0.65834   0.66164   0.66296   0.67307   0.67833
 Alpha virt. eigenvalues --    0.69847   0.70506   0.71364   0.72422   0.73291
 Alpha virt. eigenvalues --    0.74560   0.75206   0.75903   0.76712   0.77346
 Alpha virt. eigenvalues --    0.77734   0.78486   0.78855   0.81181   0.81243
 Alpha virt. eigenvalues --    0.82629   0.83256   0.84838   0.85557   0.86087
 Alpha virt. eigenvalues --    0.87023   0.90285   0.91785   0.92860   0.93860
 Alpha virt. eigenvalues --    0.95626   0.97604   0.98578   0.99907   1.02005
 Alpha virt. eigenvalues --    1.02647   1.03874   1.06741   1.07970   1.11458
 Alpha virt. eigenvalues --    1.12303   1.13815   1.17351   1.20791   1.22540
 Alpha virt. eigenvalues --    1.24146   1.27209   1.28739   1.30810   1.31662
 Alpha virt. eigenvalues --    1.32659   1.33701   1.34335   1.35408   1.38089
 Alpha virt. eigenvalues --    1.39143   1.40092   1.40594   1.41461   1.42730
 Alpha virt. eigenvalues --    1.44700   1.46035   1.48715   1.49350   1.50190
 Alpha virt. eigenvalues --    1.51348   1.51880   1.53390   1.56777   1.57022
 Alpha virt. eigenvalues --    1.59111   1.59742   1.60298   1.61357   1.62963
 Alpha virt. eigenvalues --    1.64778   1.66613   1.67301   1.68355   1.69993
 Alpha virt. eigenvalues --    1.71489   1.72163   1.72737   1.73616   1.75443
 Alpha virt. eigenvalues --    1.76169   1.77055   1.79129   1.80686   1.82926
 Alpha virt. eigenvalues --    1.84130   1.85493   1.87153   1.88907   1.90317
 Alpha virt. eigenvalues --    1.91991   1.94066   1.94574   1.95508   1.95823
 Alpha virt. eigenvalues --    1.98538   2.00935   2.02670   2.03116   2.03714
 Alpha virt. eigenvalues --    2.06793   2.08312   2.08941   2.09954   2.10698
 Alpha virt. eigenvalues --    2.12657   2.12952   2.14865   2.16070   2.20582
 Alpha virt. eigenvalues --    2.21807   2.23689   2.26509   2.30524   2.33721
 Alpha virt. eigenvalues --    2.34924   2.40968   2.42016   2.44231   2.49023
 Alpha virt. eigenvalues --    2.50594   2.51316   2.52508   2.54079   2.57038
 Alpha virt. eigenvalues --    2.60413   2.64036   2.68536   2.70337   2.74631
 Alpha virt. eigenvalues --    2.76309   2.77374   2.82895   2.84021   2.87442
 Alpha virt. eigenvalues --    2.98293   3.03405   3.06968   3.09340   3.33438
 Alpha virt. eigenvalues --    3.38485   3.44343   3.47659   3.49045   3.55681
 Alpha virt. eigenvalues --    3.61042   3.67138   3.99162   4.50784
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.535292  -0.033794   0.271303  -0.139191  -0.044040   0.133694
     2  C   -0.033794  12.388286  -0.282113  -1.252421   0.733891   0.131667
     3  H    0.271303  -0.282113   0.753568   0.039237  -0.053441   0.060817
     4  H   -0.139191  -1.252421   0.039237   2.204998  -0.172924   0.425418
     5  C   -0.044040   0.733891  -0.053441  -0.172924   5.140909  -0.658125
     6  C    0.133694   0.131667   0.060817   0.425418  -0.658125  22.049044
     7  H    0.024549  -0.104657   0.010634   0.116408   0.251876  -0.184830
     8  H    0.030657   0.462829   0.004655  -0.112795  -0.047905  -0.338338
     9  H   -0.043837   0.126815  -0.013604  -0.148492   0.150189   0.323022
    10  C   -0.038195  -3.087110   0.044747   0.182849  -0.149119 -10.833579
    11  C   -0.003944   0.503319   0.011913  -0.014350  -0.109900   4.792715
    12  C    0.002519  -0.335399  -0.004377   0.011025   0.022832  -5.721053
    13  C   -0.069646   0.009428   0.010249   0.061112  -0.017946   3.810075
    14  C   -0.025738  -4.289020   0.065010   0.276771  -0.173021 -10.074965
    15  H   -0.004820   0.223832   0.007558   0.040713   0.073724   0.734437
    16  H    0.000128   0.010897   0.000098  -0.003102   0.019015  -0.450683
    17  H    0.000218  -0.019236   0.000154   0.001559   0.001208   0.107700
    18  H   -0.001567   0.005307  -0.001159   0.001292   0.003156  -0.500933
    19  H   -0.094749   0.138377   0.007623  -0.010035   0.032538   0.817940
               7          8          9         10         11         12
     1  O    0.024549   0.030657  -0.043837  -0.038195  -0.003944   0.002519
     2  C   -0.104657   0.462829   0.126815  -3.087110   0.503319  -0.335399
     3  H    0.010634   0.004655  -0.013604   0.044747   0.011913  -0.004377
     4  H    0.116408  -0.112795  -0.148492   0.182849  -0.014350   0.011025
     5  C    0.251876  -0.047905   0.150189  -0.149119  -0.109900   0.022832
     6  C   -0.184830  -0.338338   0.323022 -10.833579   4.792715  -5.721053
     7  H    1.807527  -0.239140  -0.545700   0.129547   0.082706  -0.003455
     8  H   -0.239140   1.837331  -0.361350  -0.010614   0.043159  -0.013396
     9  H   -0.545700  -0.361350   2.030983  -0.123280  -0.039257   0.004699
    10  C    0.129547  -0.010614  -0.123280  27.182331 -10.102189   6.090662
    11  C    0.082706   0.043159  -0.039257 -10.102189  17.882223  -6.550769
    12  C   -0.003455  -0.013396   0.004699   6.090662  -6.550769  13.746273
    13  C    0.003699  -0.003838   0.000834  -6.723236   6.246792  -6.417493
    14  C   -0.082043  -0.012112   0.012694   4.157512  -6.145200   5.233789
    15  H   -0.093140  -0.100315   0.026870  -3.317094   1.053149  -0.214411
    16  H   -0.002519  -0.003487   0.001991   1.630826  -2.407392   0.774512
    17  H    0.000375  -0.000137  -0.000026  -0.256449   0.815427  -1.861393
    18  H    0.001211  -0.000344   0.000104   0.275393  -0.459978   0.792489
    19  H    0.005659   0.003710   0.001354  -0.303212   0.154972  -0.276197
              13         14         15         16         17         18
     1  O   -0.069646  -0.025738  -0.004820   0.000128   0.000218  -0.001567
     2  C    0.009428  -4.289020   0.223832   0.010897  -0.019236   0.005307
     3  H    0.010249   0.065010   0.007558   0.000098   0.000154  -0.001159
     4  H    0.061112   0.276771   0.040713  -0.003102   0.001559   0.001292
     5  C   -0.017946  -0.173021   0.073724   0.019015   0.001208   0.003156
     6  C    3.810075 -10.074965   0.734437  -0.450683   0.107700  -0.500933
     7  H    0.003699  -0.082043  -0.093140  -0.002519   0.000375   0.001211
     8  H   -0.003838  -0.012112  -0.100315  -0.003487  -0.000137  -0.000344
     9  H    0.000834   0.012694   0.026870   0.001991  -0.000026   0.000104
    10  C   -6.723236   4.157512  -3.317094   1.630826  -0.256449   0.275393
    11  C    6.246792  -6.145200   1.053149  -2.407392   0.815427  -0.459978
    12  C   -6.417493   5.233789  -0.214411   0.774512  -1.861393   0.792489
    13  C   15.856804  -6.598820   0.192833  -0.488799   0.833063  -2.135701
    14  C   -6.598820  24.535114  -0.295078   0.248313  -0.205823   1.394040
    15  H    0.192833  -0.295078   4.132013  -0.206059  -0.030305   0.023264
    16  H   -0.488799   0.248313  -0.206059   2.838754  -0.142474  -0.038871
    17  H    0.833063  -0.205823  -0.030305  -0.142474   2.701825  -0.151801
    18  H   -2.135701   1.394040   0.023264  -0.038871  -0.151801   2.794601
    19  H    0.874075  -2.449655  -0.060544   0.019097  -0.027527  -0.213244
              19
     1  O   -0.094749
     2  C    0.138377
     3  H    0.007623
     4  H   -0.010035
     5  C    0.032538
     6  C    0.817940
     7  H    0.005659
     8  H    0.003710
     9  H    0.001354
    10  C   -0.303212
    11  C    0.154972
    12  C   -0.276197
    13  C    0.874075
    14  C   -2.449655
    15  H   -0.060544
    16  H    0.019097
    17  H   -0.027527
    18  H   -0.213244
    19  H    3.421119
 Mulliken charges:
               1
     1  O   -0.498839
     2  C    0.669103
     3  H    0.067126
     4  H   -0.508073
     5  C    0.997085
     6  C    1.375977
     7  H   -0.178707
     8  H   -0.138572
     9  H   -0.404007
    10  C    1.250208
    11  C    0.246603
    12  C    0.719142
    13  C    0.556514
    14  C    0.428232
    15  H   -1.186628
    16  H   -0.800245
    17  H   -0.766359
    18  H   -0.787260
    19  H   -1.041300
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.431713
     2  C    0.161030
     5  C    0.275799
     6  C    1.375977
    10  C    0.063579
    11  C   -0.553642
    12  C   -0.047217
    13  C   -0.230746
    14  C   -0.613069
 Electronic spatial extent (au):  <R**2>=           1281.6351
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.7541    Y=              1.1853    Z=              0.3461  Tot=              1.4469
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -54.9705   YY=            -53.7607   ZZ=            -54.8049
   XY=              3.7400   XZ=             -0.4260   YZ=              0.1815
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4584   YY=              0.7513   ZZ=             -0.2929
   XY=              3.7400   XZ=             -0.4260   YZ=              0.1815
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -12.5656  YYY=             -0.5869  ZZZ=              5.7978  XYY=             -7.0845
  XXY=              7.5452  XXZ=              1.0533  XZZ=             14.7207  YZZ=             -4.8853
  YYZ=              0.6091  XYZ=             -1.6846
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1187.5580 YYYY=           -432.7114 ZZZZ=            -97.2311 XXXY=             15.7888
 XXXZ=            -10.6637 YYYX=             -0.6401 YYYZ=              1.1036 ZZZX=             11.4504
 ZZZY=             -8.1967 XXYY=           -282.4517 XXZZ=           -221.7551 YYZZ=            -92.4881
 XXYZ=              2.5475 YYXZ=             -0.2508 ZZXY=             -9.0675
 N-N= 4.251976644099D+02 E-N=-1.748155875434D+03  KE= 3.838811214448D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:58:48 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3988    1.3984        0.6517    0.6522
 2     -1.3988   -1.3984       -1.3723   -1.3727      -11.7538  -11.7527
 3     -0.6517   -0.6522       30.7996   30.7988        1.3723    1.3727
 4      1.3723    1.3727        0.0000    0.0000       -0.6534   -0.6522
 5    -19.0459  -19.0461        0.6534    0.6522        1.4016    1.3984
 6     -1.3723   -1.3727       -1.4016   -1.3984       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.1951   -4.1951        1.9566    1.9566
 2      4.1181    4.1181        0.0000    0.0000        1.9566    1.9566
 3      4.1181    4.1181       -4.1951   -4.1951        0.0000    0.0000
 4     -4.1951   -4.1951       -4.1181   -4.1181      -35.2581  -35.2581
 5     -1.9566   -1.9566       92.3963   92.3963        4.1181    4.1181
 6    -57.1382  -57.1382        1.9566    1.9566        4.1951    4.1951
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0111    0.0000       -5.5348   -5.5935       -2.5759   -2.6088
 2      5.5799    5.5935        5.4019    5.4908       46.9681   47.0108
 3      2.7451    2.6088     -123.0841 -123.1951       -5.1427   -5.4908
 4     -5.4999   -5.4908        0.1237    0.0000        2.5750    2.6088
 5     76.4475   76.1843       -2.8030   -2.6088       -5.1810   -5.5935
 6      5.2970    5.4908        6.0677    5.5935        0.0411    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2644    0.0000        5.2477    5.1999       -9.8848   -9.3544
 2     -5.3195   -5.1999       44.1945   44.0678       17.1243   17.8679
 3      9.4152    9.3544       11.1108   11.0059      -44.3257  -44.0678
 4    -44.2461  -44.0678        0.2020    0.0000        8.7673    9.3544
 5    -28.7959  -28.8738       -9.9070   -9.3544        4.6581    5.1999
 6     44.4897   44.0678       -5.2252   -5.1999        0.8161    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.7604   -6.8890      -10.6530  -10.7264        9.5037    9.7033
 2    -80.8303  -80.5814       -6.6420   -6.8811        9.0306    9.7033
 3    -80.7680  -80.5814      -10.5426  -10.7264       14.8287   15.2284
 4     -3.9847   -3.8453       73.3975   73.6924       22.9355   23.0666
 5      5.6986    5.5251       23.4326   23.6240      -73.4617  -73.6924
 6    -46.3590  -46.6907       -6.4049   -5.5251        3.5353    3.8453
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.4243                 4.4727                 0.1286
  Dep-P Fr= 1--      0.7494                 0.7387                 0.4078
  Dep-U Fr= 1--      0.8567                 0.8497                 0.5794
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0009
 Beta2  Fr= 1--      0.3462                 0.6334                 0.0124
 AlphaG Fr= 1--     -0.0000                -0.0003                 0.0020
 Gamma2 Fr= 1--      0.9028                 0.4094                -0.1110
 Delta2 Fr= 1--      0.6539                 0.3159                -0.0249
 Raman1 Fr= 1--       9.697                 17.891                  0.514
 ROA1   Fr= 1--     107.593                 49.410                -11.452
 CID1   Fr= 1--      11.095                  2.762                -22.268
 Raman2 Fr= 1--       4.154                  7.601                  0.149
 ROA2   Fr= 1--      16.435                  7.297                 -2.464
 CID2   Fr= 1--       3.957                  0.960                -16.539
 Raman3 Fr= 1--       8.308                 15.202                  0.298
 ROA3   Fr= 1--     107.593                 49.410                -11.452
 CID3   Fr= 1--      12.951                  3.250                -38.434
 RC180  Fr= 1--       0.713                  0.699                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.4375                 0.2236                 3.0388
  Dep-P Fr= 1--      0.7444                 0.6515                 0.1098
  Dep-U Fr= 1--      0.8535                 0.7890                 0.1978
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0519
 Beta2  Fr= 1--      0.0622                 0.0294                 0.1002
 AlphaG Fr= 1--      0.0012                -0.0043                -0.0255
 Gamma2 Fr= 1--      0.2935                 0.2163                -0.0529
 Delta2 Fr= 1--      0.1214                 0.1370                -0.0230
 Raman1 Fr= 1--       1.750                  0.894                 12.155
 ROA1   Fr= 1--      32.057                 25.153                 -5.813
 CID1   Fr= 1--      18.318                 28.128                 -0.478
 Raman2 Fr= 1--       0.747                  0.353                  1.202
 ROA2   Fr= 1--       6.073                  4.096                 -1.085
 CID2   Fr= 1--       8.132                 11.610                 -0.902
 Raman3 Fr= 1--       1.494                  0.706                  2.405
 ROA3   Fr= 1--      32.057                 25.153                 -5.813
 CID3   Fr= 1--      21.463                 35.651                 -2.417
 RC180  Fr= 1--       0.707                  0.578                 -0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.6318                 0.0606                 1.3521
  Dep-P Fr= 1--      0.7003                 0.2731                 0.5681
  Dep-U Fr= 1--      0.8237                 0.4291                 0.7246
 Alpha2 Fr= 1--      0.0005                 0.0007                 0.0046
 Beta2  Fr= 1--      0.0867                 0.0043                 0.1633
 AlphaG Fr= 1--      0.0036                 0.0056                 0.0045
 Gamma2 Fr= 1--     -0.6428                 0.3583                 0.3084
 Delta2 Fr= 1--     -0.0894                 0.0541                 0.2027
 Raman1 Fr= 1--       2.527                  0.242                  5.408
 ROA1   Fr= 1--     -64.569                 36.128                 36.091
 CID1   Fr= 1--     -25.551                149.086                  6.673
 Raman2 Fr= 1--       1.041                  0.052                  1.959
 ROA2   Fr= 1--     -14.711                  8.166                  5.780
 CID2   Fr= 1--     -14.135                157.088                  2.950
 Raman3 Fr= 1--       2.082                  0.104                  3.919
 ROA3   Fr= 1--     -64.569                 36.128                 36.091
 CID3   Fr= 1--     -31.019                347.475                  9.210
 RC180  Fr= 1--       0.647                 -0.142                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.3241                 1.0457                 4.6657
  Dep-P Fr= 1--      0.1678                 0.7310                 0.7499
  Dep-U Fr= 1--      0.2874                 0.8446                 0.8571
 Alpha2 Fr= 1--      0.0639                 0.0003                 0.0000
 Beta2  Fr= 1--      0.2071                 0.1472                 0.6665
 AlphaG Fr= 1--      0.0384                 0.0012                 0.0003
 Gamma2 Fr= 1--     -0.4937                -0.4539                -0.0144
 Delta2 Fr= 1--     -0.1573                 0.0107                -0.0103
 Raman1 Fr= 1--      17.296                  4.183                 18.663
 ROA1   Fr= 1--     -52.431                -43.231                 -1.710
 CID1   Fr= 1--      -3.031                -10.335                 -0.092
 Raman2 Fr= 1--       2.486                  1.766                  7.998
 ROA2   Fr= 1--     -10.590                -10.978                 -0.262
 CID2   Fr= 1--      -4.261                 -6.215                 -0.033
 Raman3 Fr= 1--       4.971                  3.533                 15.996
 ROA3   Fr= 1--     -52.431                -43.231                 -1.710
 CID3   Fr= 1--     -10.547                -12.237                 -0.107
 RC180  Fr= 1--      -0.425                  0.689                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0862                12.3417                 6.1276
  Dep-P Fr= 1--      0.7433                 0.0798                 0.2395
  Dep-U Fr= 1--      0.8527                 0.1477                 0.3865
 Alpha2 Fr= 1--      0.0000                 0.2270                 0.0748
 Beta2  Fr= 1--      0.0123                 0.3039                 0.3947
 AlphaG Fr= 1--      0.0002                 0.0359                -0.0117
 Gamma2 Fr= 1--     -0.0526                -0.4050                -0.9252
 Delta2 Fr= 1--      0.0001                -0.0693                -0.0185
 Raman1 Fr= 1--       0.345                 49.367                 24.510
 ROA1   Fr= 1--      -5.051                -41.094                -89.415
 CID1   Fr= 1--     -14.648                 -0.832                 -3.648
 Raman2 Fr= 1--       0.147                  3.646                  4.737
 ROA2   Fr= 1--      -1.264                 -9.164                -22.057
 CID2   Fr= 1--      -8.599                 -2.513                 -4.657
 Raman3 Fr= 1--       0.294                  7.293                  9.473
 ROA3   Fr= 1--      -5.051                -41.094                -89.415
 CID3   Fr= 1--     -17.178                 -5.635                 -9.439
 RC180  Fr= 1--       0.705                 -0.705                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      1.6126                 1.8476                 0.6419
  Dep-P Fr= 1--      0.7479                 0.6698                 0.7187
  Dep-U Fr= 1--      0.8558                 0.8022                 0.8363
 Alpha2 Fr= 1--      0.0001                 0.0026                 0.0003
 Beta2  Fr= 1--      0.2300                 0.2470                 0.0895
 AlphaG Fr= 1--      0.0004                -0.0034                 0.0009
 Gamma2 Fr= 1--     -0.2033                 1.4547                 1.2145
 Delta2 Fr= 1--     -0.1644                 1.2086                -0.1145
 Raman1 Fr= 1--       6.450                  7.391                  2.568
 ROA1   Fr= 1--     -24.778                178.328                112.931
 CID1   Fr= 1--      -3.841                 24.129                 43.982
 Raman2 Fr= 1--       2.760                  2.964                  1.074
 ROA2   Fr= 1--      -3.564                 25.244                 30.065
 CID2   Fr= 1--      -1.291                  8.515                 28.002
 Raman3 Fr= 1--       5.520                  5.929                  2.147
 ROA3   Fr= 1--     -24.778                178.328                112.931
 CID3   Fr= 1--      -4.489                 30.077                 52.591
 RC180  Fr= 1--       0.712                  0.604                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0435                 0.0236                48.1083
  Dep-P Fr= 1--      0.6419                 0.4863                 0.0736
  Dep-U Fr= 1--      0.7819                 0.6543                 0.1371
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.8980
 Beta2  Fr= 1--      0.0057                 0.0026                 1.0995
 AlphaG Fr= 1--     -0.0017                 0.0007                 0.2337
 Gamma2 Fr= 1--     -0.1146                -0.1118                -2.4811
 Delta2 Fr= 1--      0.0378                 0.0609                -0.7695
 Raman1 Fr= 1--       0.174                  0.094                192.433
 ROA1   Fr= 1--      -9.789                 -8.788               -262.815
 CID1   Fr= 1--     -56.320                -93.141                 -1.366
 Raman2 Fr= 1--       0.068                  0.031                 13.194
 ROA2   Fr= 1--      -3.053                 -3.172                -53.391
 CID2   Fr= 1--     -44.922               -102.738                 -4.047
 Raman3 Fr= 1--       0.136                  0.062                 26.388
 ROA3   Fr= 1--      -9.789                 -8.788               -262.815
 CID3   Fr= 1--     -72.030               -142.343                 -9.960
 RC180  Fr= 1--       0.564                  0.309                 -0.726
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     15.2714                24.0009                 4.5934
  Dep-P Fr= 1--      0.0453                 0.0331                 0.5396
  Dep-U Fr= 1--      0.0866                 0.0642                 0.7010
 Alpha2 Fr= 1--      0.3051                 0.4934                 0.0186
 Beta2  Fr= 1--      0.2205                 0.2566                 0.5366
 AlphaG Fr= 1--     -0.0610                -0.0511                -0.0256
 Gamma2 Fr= 1--      1.2228                 0.7599                 0.1079
 Delta2 Fr= 1--      0.6859                 0.4857                -0.4190
 Raman1 Fr= 1--      61.086                 96.004                 18.374
 ROA1   Fr= 1--     139.335                 88.497                 -3.049
 CID1   Fr= 1--       2.281                  0.922                 -0.166
 Raman2 Fr= 1--       2.646                  3.079                  6.440
 ROA2   Fr= 1--      23.860                 14.353                  5.941
 CID2   Fr= 1--       9.018                  4.661                  0.923
 Raman3 Fr= 1--       5.292                  6.159                 12.879
 ROA3   Fr= 1--     139.335                 88.497                 -3.049
 CID3   Fr= 1--      26.330                 14.369                 -0.237
 RC180  Fr= 1--      -0.827                 -0.872                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.8889                 0.9913                 3.9046
  Dep-P Fr= 1--      0.2200                 0.7030                 0.7341
  Dep-U Fr= 1--      0.3607                 0.8256                 0.8466
 Alpha2 Fr= 1--      0.0243                 0.0008                 0.0011
 Beta2  Fr= 1--      0.1135                 0.1364                 0.5510
 AlphaG Fr= 1--     -0.0368                -0.0047                -0.0045
 Gamma2 Fr= 1--      0.4007                 0.4484                -0.0360
 Delta2 Fr= 1--      0.3319                 0.0785                -0.1811
 Raman1 Fr= 1--       7.555                  3.965                 15.618
 ROA1   Fr= 1--      49.090                 45.556                 -9.247
 CID1   Fr= 1--       6.497                 11.489                 -0.592
 Raman2 Fr= 1--       1.363                  1.637                  6.612
 ROA2   Fr= 1--       6.962                 10.133                  0.586
 CID2   Fr= 1--       5.110                  6.191                  0.089
 Raman3 Fr= 1--       2.725                  3.274                 13.223
 ROA3   Fr= 1--      49.090                 45.556                 -9.247
 CID3   Fr= 1--      18.014                 13.916                 -0.699
 RC180  Fr= 1--      -0.279                  0.651                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      6.1150                17.5280                 9.4291
  Dep-P Fr= 1--      0.3383                 0.0748                 0.1486
  Dep-U Fr= 1--      0.5056                 0.1392                 0.2588
 Alpha2 Fr= 1--      0.0557                 0.3262                 0.1463
 Beta2  Fr= 1--      0.5153                 0.4068                 0.4067
 AlphaG Fr= 1--      0.0066                 0.0161                 0.1832
 Gamma2 Fr= 1--      0.3186                 0.7969                -1.0858
 Delta2 Fr= 1--      0.0996                -0.0442                -0.1961
 Raman1 Fr= 1--      24.460                 70.112                 37.717
 ROA1   Fr= 1--      33.772                 75.084               -110.511
 CID1   Fr= 1--       1.381                  1.071                 -2.930
 Raman2 Fr= 1--       6.183                  4.882                  4.881
 ROA2   Fr= 1--       6.850                 19.478                -24.490
 CID2   Fr= 1--       1.108                  3.990                 -5.018
 Raman3 Fr= 1--      12.367                  9.763                  9.761
 ROA3   Fr= 1--      33.772                 75.084               -110.511
 CID3   Fr= 1--       2.731                  7.691                -11.322
 RC180  Fr= 1--       0.011                 -0.722                 -0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      5.0284                 0.5103                 4.7235
  Dep-P Fr= 1--      0.0796                 0.7323                 0.4133
  Dep-U Fr= 1--      0.1475                 0.8455                 0.5849
 Alpha2 Fr= 1--      0.0925                 0.0002                 0.0333
 Beta2  Fr= 1--      0.1236                 0.0719                 0.4604
 AlphaG Fr= 1--     -0.0704                -0.0036                -0.0060
 Gamma2 Fr= 1--      0.8314                 0.9537                -2.4646
 Delta2 Fr= 1--     -0.0631                -0.8013                -0.1211
 Raman1 Fr= 1--      20.113                  2.041                 18.894
 ROA1   Fr= 1--      77.801                 65.913               -240.477
 CID1   Fr= 1--       3.868                 32.289                -12.728
 Raman2 Fr= 1--       1.483                  0.863                  5.525
 ROA2   Fr= 1--      20.459                 29.299                -58.182
 CID2   Fr= 1--      13.794                 33.952                -10.530
 Raman3 Fr= 1--       2.966                  1.726                 11.050
 ROA3   Fr= 1--      77.801                 65.913               -240.477
 CID3   Fr= 1--      26.227                 38.190                -21.762
 RC180  Fr= 1--      -0.705                  0.691                  0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.8210                 3.5931                 2.1940
  Dep-P Fr= 1--      0.7490                 0.7382                 0.6198
  Dep-U Fr= 1--      0.8565                 0.8494                 0.7653
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0052
 Beta2  Fr= 1--      0.5454                 0.5087                 0.2799
 AlphaG Fr= 1--      0.0016                -0.0066                 0.0198
 Gamma2 Fr= 1--      0.9939                 0.7176                 0.4706
 Delta2 Fr= 1--     -0.6601                 0.5409                -0.1091
 Raman1 Fr= 1--      15.284                 14.372                  8.776
 ROA1   Fr= 1--      74.288                 86.200                 41.686
 CID1   Fr= 1--       4.861                  5.998                  4.750
 Raman2 Fr= 1--       6.545                  6.104                  3.358
 ROA2   Fr= 1--      29.134                 12.895                 12.167
 CID2   Fr= 1--       4.451                  2.113                  3.623
 Raman3 Fr= 1--      13.090                 12.208                  6.717
 ROA3   Fr= 1--      74.288                 86.200                 41.686
 CID3   Fr= 1--       5.675                  7.061                  6.207
 RC180  Fr= 1--       0.713                  0.699                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      4.7175                 4.3522                 0.3025
  Dep-P Fr= 1--      0.6958                 0.5935                 0.7490
  Dep-U Fr= 1--      0.8206                 0.7449                 0.8565
 Alpha2 Fr= 1--      0.0045                 0.0127                 0.0000
 Beta2  Fr= 1--      0.6452                 0.5403                 0.0432
 AlphaG Fr= 1--     -0.0035                -0.0112                -0.0000
 Gamma2 Fr= 1--     -2.9485                 0.4110                 0.4673
 Delta2 Fr= 1--     -0.2249                 0.7517                -0.1598
 Raman1 Fr= 1--      18.870                 17.409                  1.210
 ROA1   Fr= 1--    -290.253                 63.513                 39.743
 CID1   Fr= 1--     -15.382                  3.648                 32.847
 Raman2 Fr= 1--       7.743                  6.484                  0.518
 ROA2   Fr= 1--     -68.965                  3.850                 12.493
 CID2   Fr= 1--      -8.907                  0.594                 24.110
 Raman3 Fr= 1--      15.485                 12.968                  1.036
 ROA3   Fr= 1--    -290.253                 63.513                 39.743
 CID3   Fr= 1--     -18.744                  4.898                 38.350
 RC180  Fr= 1--       0.641                  0.490                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      8.2521                50.3248               271.0399
  Dep-P Fr= 1--      0.7461                 0.6132                 0.0865
  Dep-U Fr= 1--      0.8546                 0.7602                 0.1592
 Alpha2 Fr= 1--      0.0005                 0.1265                 4.9048
 Beta2  Fr= 1--      1.1754                 6.3761                 7.1894
 AlphaG Fr= 1--     -0.0116                 0.0107                -2.0797
 Gamma2 Fr= 1--      0.5588                 1.3645                -1.6004
 Delta2 Fr= 1--      0.1705                -0.3845                -1.1621
 Raman1 Fr= 1--      33.008                201.299               1084.160
 ROA1   Fr= 1--      59.097                118.690               -190.821
 CID1   Fr= 1--       1.790                  0.590                 -0.176
 Raman2 Fr= 1--      14.105                 76.514                 86.273
 ROA2   Fr= 1--      12.047                 35.825                -29.112
 CID2   Fr= 1--       0.854                  0.468                 -0.337
 Raman3 Fr= 1--      28.209                153.027                172.547
 ROA3   Fr= 1--      59.097                118.690               -190.821
 CID3   Fr= 1--       2.095                  0.776                 -1.106
 RC180  Fr= 1--       0.709                  0.520                 -0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     53.1040                52.5245               110.5443
  Dep-P Fr= 1--      0.1326                 0.4121                 0.5539
  Dep-U Fr= 1--      0.2341                 0.5837                 0.7129
 Alpha2 Fr= 1--      0.8578                 0.3724                 0.4133
 Beta2  Fr= 1--      2.0722                 5.1094                13.1353
 AlphaG Fr= 1--      0.2299                 1.1558                -0.4455
 Gamma2 Fr= 1--      1.3067                 1.0385                -2.4871
 Delta2 Fr= 1--     -1.0990                 3.2764                -2.9705
 Raman1 Fr= 1--     212.416                210.098                442.177
 ROA1   Fr= 1--      90.275                204.538               -333.817
 CID1   Fr= 1--       0.425                  0.974                 -0.755
 Raman2 Fr= 1--      24.866                 61.312                157.623
 ROA2   Fr= 1--      40.153                 -1.288                -35.926
 CID2   Fr= 1--       1.615                 -0.021                 -0.228
 Raman3 Fr= 1--      49.732                122.625                315.247
 ROA3   Fr= 1--      90.275                204.538               -333.817
 CID3   Fr= 1--       1.815                  1.668                 -1.059
 RC180  Fr= 1--      -0.532                  0.167                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     46.4967               131.3162                53.0415
  Dep-P Fr= 1--      0.6813                 0.7461                 0.6465
  Dep-U Fr= 1--      0.8105                 0.8546                 0.7853
 Alpha2 Fr= 1--      0.0563                 0.0087                 0.0988
 Beta2  Fr= 1--      6.2807                18.7035                 6.9421
 AlphaG Fr= 1--     -0.0149                -0.0044                -0.0719
 Gamma2 Fr= 1--     -0.0425                 0.8627                 0.2864
 Delta2 Fr= 1--      0.3271                 0.3760                -1.0728
 Raman1 Fr= 1--     185.987                525.265                212.166
 ROA1   Fr= 1--       6.390                 94.857                 -6.838
 CID1   Fr= 1--       0.034                  0.181                 -0.032
 Raman2 Fr= 1--      75.369                224.442                 83.306
 ROA2   Fr= 1--      -3.636                 17.698                 15.456
 CID2   Fr= 1--      -0.048                  0.079                  0.186
 Raman3 Fr= 1--     150.737                448.884                166.611
 ROA3   Fr= 1--       6.390                 94.857                 -6.838
 CID3   Fr= 1--       0.042                  0.211                 -0.041
 RC180  Fr= 1--       0.621                  0.709                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    131.9097               226.1684                77.2297
  Dep-P Fr= 1--      0.1043                 0.1147                 0.1221
  Dep-U Fr= 1--      0.1890                 0.2058                 0.2176
 Alpha2 Fr= 1--      2.2851                 3.8191                 1.2806
 Beta2  Fr= 1--      4.1542                 7.7583                 2.8005
 AlphaG Fr= 1--      0.5151                -0.0719                 1.1270
 Gamma2 Fr= 1--      3.8689                -3.0616                 8.8506
 Delta2 Fr= 1--      3.6592                -2.5487                 0.4702
 Raman1 Fr= 1--     527.639                904.673                308.919
 ROA1   Fr= 1--     488.507               -375.476                864.706
 CID1   Fr= 1--       0.926                 -0.415                  2.799
 Raman2 Fr= 1--      49.850                 93.100                 33.605
 ROA2   Fr= 1--      63.579                -53.090                208.654
 CID2   Fr= 1--       1.275                 -0.570                  6.209
 Raman3 Fr= 1--      99.700                186.200                 67.211
 ROA3   Fr= 1--     488.507               -375.476                864.706
 CID3   Fr= 1--       4.900                 -2.017                 12.866
 RC180  Fr= 1--      -0.622                 -0.588                 -0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133309D+03  0.130438D+01 -0.279673D+01
      2   0.130438D+01  0.109803D+03  0.274539D+01
      3  -0.279673D+01  0.274539D+01  0.717113D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.157472D+01 -0.397265D+01 -0.588109D+01
      2   0.133270D+02 -0.735922D+01  0.306013D+01
      3   0.110810D+02  0.410077D+02  0.707769D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.946750D+02 -0.871450D+01  0.100904D+02
      2   0.438930D+02  0.243101D+02 -0.513795D+01
      3   0.507820D+02 -0.155956D+02 -0.495245D+01
      4   0.239492D+02 -0.721080D+02 -0.177023D+02
      5   0.727140D+01 -0.177952D+02  0.847341D+01
      6  -0.607609D+01 -0.243189D+01  0.132228D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.415184D+01 -0.256577D+01  0.112446D+01 -0.529323D+01  0.379058D+01
      2  -0.256577D+01  0.211896D+01 -0.988318D+00  0.379058D+01 -0.431122D+01
      3   0.112446D+01 -0.988318D+00  0.137789D+01 -0.687302D+00  0.134233D+01
                 6             7             8             9            10 
      1  -0.687302D+00 -0.816732D+00 -0.725819D+00  0.105075D+01 -0.530392D+01
      2   0.134233D+01 -0.725819D+00  0.100299D+00 -0.954968D+00  0.996612D+00
      3  -0.149519D+00  0.105075D+01 -0.954968D+00 -0.567593D+01  0.111502D+01
                11            12            13            14            15 
      1   0.996612D+00  0.111502D+01  0.281251D+01 -0.525859D+01  0.205350D+00
      2  -0.252855D+01  0.370892D+00 -0.525859D+01 -0.232118D+00 -0.862900D+00
      3   0.370892D+00 -0.944629D+00  0.205350D+00 -0.862900D+00  0.198550D+01
                16            17            18            19            20 
      1   0.290407D+01  0.190277D+00 -0.297006D+01 -0.982094D+00  0.193873D+00
      2   0.190277D+00 -0.102271D+01  0.312227D+01  0.193873D+00 -0.257543D+00
      3  -0.297006D+01  0.312227D+01  0.768799D+01  0.176312D+00  0.373372D+00
                21            22            23            24            25 
      1   0.176312D+00  0.578414D+00  0.171561D+00  0.105502D+00  0.273058D+01
      2   0.373372D+00  0.171561D+00 -0.657058D+00  0.648758D+00 -0.684846D+00
      3  -0.155586D+01  0.105502D+00  0.648758D+00  0.291672D+00  0.940325D+00
                26            27            28            29            30 
      1  -0.684846D+00  0.940325D+00  0.242297D+01 -0.424884D+00 -0.197348D+01
      2   0.192887D+01 -0.134377D+01 -0.424884D+00  0.694979D+00  0.338087D+00
      3  -0.134377D+01  0.744288D+01 -0.197348D+01  0.338087D+00  0.146815D+01
                31            32            33            34            35 
      1  -0.211316D+01  0.182817D+01  0.562234D+00 -0.527366D+01  0.746822D+00
      2   0.182817D+01 -0.120329D+01 -0.120856D+01  0.746822D+00 -0.159166D+01
      3   0.562234D+00 -0.120856D+01 -0.189860D+01  0.321246D+01 -0.203583D+01
                36            37            38            39            40 
      1   0.321246D+01 -0.729204D+01  0.240903D+01  0.909926D+00  0.505730D+01
      2  -0.203583D+01  0.240903D+01  0.315825D+01 -0.316359D+00  0.294200D+01
      3  -0.816791D+01  0.909926D+00 -0.316359D+00  0.168326D+01 -0.148446D+00
                41            42            43            44            45 
      1   0.294200D+01 -0.148446D+00  0.451529D+00  0.298512D+00  0.265030D+00
      2  -0.669148D+00  0.186953D+01  0.298512D+00  0.217614D+01 -0.416668D+01
      3   0.186953D+01 -0.401162D+01  0.265030D+00 -0.416668D+01 -0.393425D+01
                46            47            48            49            50 
      1   0.194844D+02 -0.257822D+01 -0.617968D+00 -0.236023D+01 -0.167370D+01
      2  -0.257822D+01  0.278524D+01 -0.116190D+00 -0.167370D+01 -0.230729D+00
      3  -0.617968D+00 -0.116190D+00  0.228721D+01 -0.462176D+00  0.148455D+00
                51            52            53            54            55 
      1  -0.462176D+00 -0.515975D+00 -0.387366D+00  0.398074D+01  0.238840D+00
      2   0.148455D+00 -0.387366D+00 -0.542543D-01 -0.367304D+00  0.343179D-01
      3  -0.647434D+00  0.398074D+01 -0.367304D+00 -0.141686D+01  0.633381D+00
                56            57            58            59            60 
      1   0.343179D-01  0.633381D+00  0.883923D-01  0.216047D+00  0.114543D-01
      2  -0.568350D+00 -0.132660D+00  0.216047D+00  0.186288D+01  0.111405D+01
      3  -0.132660D+00 -0.709852D+00  0.114543D-01  0.111405D+01  0.167906D+01
                61            62            63            64            65 
      1   0.209614D+01  0.778440D+00  0.636518D+00 -0.752302D-01  0.270117D+00
      2   0.778440D+00  0.211173D+01  0.238667D+01  0.270117D+00 -0.898422D+00
      3   0.636518D+00  0.238667D+01  0.617790D+01 -0.595508D+00  0.401725D+00
                66            67            68            69            70 
      1  -0.595508D+00  0.121537D+01  0.401037D+00 -0.461193D-01 -0.171672D+01
      2   0.401725D+00  0.401037D+00  0.537655D+01 -0.261329D+01 -0.594624D+00
      3  -0.606428D+00 -0.461193D-01 -0.261329D+01  0.263846D+01  0.159795D+00
                71            72            73            74            75 
      1  -0.594624D+00  0.159795D+00  0.124630D+02  0.464294D+00 -0.796054D+00
      2  -0.335580D+01  0.276602D+01  0.464294D+00  0.100040D+01  0.573912D-02
      3   0.276602D+01 -0.301295D+01 -0.796054D+00  0.573912D-02  0.103585D+01
                76            77            78            79            80 
      1  -0.212485D+01  0.822050D+00  0.685105D-01 -0.992662D+00 -0.812933D-01
      2   0.822050D+00 -0.266538D+00 -0.255032D+00 -0.812933D-01 -0.451556D+00
      3   0.685105D-01 -0.255032D+00  0.966191D-03  0.133698D+01  0.431918D+00
                81            82            83            84            85 
      1   0.133698D+01 -0.645235D+01 -0.886260D+00 -0.147104D+00  0.965854D+01
      2   0.431918D+00 -0.886260D+00  0.400987D+01  0.760703D+00  0.839096D-01
      3  -0.730267D-01 -0.147104D+00  0.760703D+00  0.190213D+01 -0.393291D-02
                86            87            88            89            90 
      1   0.839096D-01 -0.393291D-02  0.189928D+01  0.325028D-01  0.183324D+01
      2   0.191151D+01 -0.624406D+00  0.325028D-01 -0.106756D+01  0.363418D+01
      3  -0.624406D+00  0.228344D+01  0.183324D+01  0.363418D+01  0.233614D+00
                91            92            93            94            95 
      1   0.513275D+01 -0.174615D+00 -0.255171D+00  0.634659D+01 -0.199095D+00
      2  -0.174615D+00 -0.311673D+01  0.241371D+00 -0.199095D+00  0.108280D+01
      3  -0.255171D+00  0.241371D+00 -0.103627D+01  0.188974D+00 -0.729718D+00
                96            97            98            99           100 
      1   0.188974D+00  0.102871D+00  0.628117D+00 -0.236432D+01 -0.674861D+01
      2  -0.729718D+00  0.628117D+00 -0.553722D+00  0.411976D+01  0.508732D-01
      3   0.268989D+01 -0.236432D+01  0.411976D+01  0.188338D+01 -0.535799D+00
               101           102           103           104           105 
      1   0.508732D-01 -0.535799D+00  0.703018D+00  0.104535D+01  0.589597D+00
      2  -0.357939D+01 -0.230246D-01  0.104535D+01 -0.460005D+00 -0.274038D+00
      3  -0.230246D-01 -0.332940D+01  0.589597D+00 -0.274038D+00 -0.907915D-01
               106           107           108           109           110 
      1  -0.280855D+00  0.754397D+00 -0.575499D+01  0.370573D+01 -0.265469D+00
      2   0.754397D+00  0.331280D+00  0.122571D+00 -0.265469D+00 -0.348168D+01
      3  -0.575499D+01  0.122571D+00  0.111172D+01 -0.539285D+00 -0.716378D+00
               111           112           113           114           115 
      1  -0.539285D+00 -0.681658D+01  0.552027D+00  0.622766D+00 -0.160988D+01
      2  -0.716378D+00  0.552027D+00 -0.268249D+00  0.744755D+00  0.964712D-02
      3  -0.178437D+01  0.622766D+00  0.744755D+00 -0.267057D+01 -0.303261D+01
               116           117           118           119           120 
      1   0.964712D-02 -0.303261D+01 -0.531665D+01  0.223248D+01  0.157096D+00
      2   0.115860D+01 -0.380640D+01  0.223248D+01  0.367383D+01 -0.588420D-01
      3  -0.380640D+01 -0.408287D+00  0.157096D+00 -0.588420D-01  0.153888D+01
               121           122           123           124           125 
      1  -0.805279D+01  0.744643D+00 -0.339083D+00 -0.194295D-01 -0.445636D+00
      2   0.744643D+00 -0.175212D+01  0.619820D+00 -0.445636D+00  0.233416D-01
      3  -0.339083D+00  0.619820D+00 -0.198371D+01  0.854213D+00 -0.376760D+01
               126           127           128           129           130 
      1   0.854213D+00  0.313884D+01  0.227297D+01  0.118330D-01  0.227612D+01
      2  -0.376760D+01  0.227297D+01  0.231882D+01  0.444124D-01  0.279773D+01
      3  -0.178850D+01  0.118330D-01  0.444124D-01  0.573535D-01  0.125333D+00
               131           132           133           134           135 
      1   0.279773D+01  0.125333D+00 -0.260613D+00  0.118419D+00 -0.777209D-01
      2   0.669037D+01  0.353354D+00  0.118419D+00  0.482683D+00  0.612298D-01
      3   0.353354D+00  0.533726D+00 -0.777209D-01  0.612298D-01  0.266981D-01
               136           137           138           139           140 
      1  -0.295641D+01  0.308883D+01  0.548467D+00  0.277210D+01 -0.425175D+01
      2   0.308883D+01 -0.325457D+01 -0.571157D+00 -0.425175D+01  0.892342D+01
      3   0.548467D+00 -0.571157D+00 -0.440562D+00 -0.630334D+00  0.126293D+01
               141           142           143           144           145 
      1  -0.630334D+00  0.607979D+00 -0.796135D+00 -0.158936D+00 -0.135035D+02
      2   0.126293D+01 -0.796135D+00  0.138214D+01  0.147126D+00  0.426845D+00
      3   0.875082D+00 -0.158936D+00  0.147126D+00  0.120148D+00  0.118308D+01
               146           147           148           149           150 
      1   0.426845D+00  0.118308D+01  0.465787D+00 -0.164820D+01 -0.228819D+00
      2  -0.704306D+00 -0.314415D-01 -0.164820D+01  0.129461D+00  0.143004D+00
      3  -0.314415D-01 -0.859815D+00 -0.228819D+00  0.143004D+00  0.704751D-01
               151           152           153           154           155 
      1   0.130203D+01 -0.223225D+00  0.127487D-01 -0.410302D+01 -0.370279D+01
      2  -0.223225D+00  0.623810D-01  0.254929D-01 -0.370279D+01 -0.372801D+01
      3   0.127487D-01  0.254929D-01  0.996177D-01 -0.992974D-01 -0.839470D-01
               156           157           158           159           160 
      1  -0.992974D-01 -0.351259D+01 -0.474810D+01 -0.351977D+00 -0.171956D+00
      2  -0.839470D-01 -0.474810D+01 -0.801400D+01 -0.486712D+00 -0.163990D+00
      3  -0.426740D+00 -0.351977D+00 -0.486712D+00 -0.681415D+00  0.932866D-02
               161           162           163           164           165 
      1  -0.163990D+00  0.932866D-02  0.199552D+01 -0.184224D+01 -0.299909D+00
      2  -0.568114D+00 -0.103519D+00 -0.184224D+01  0.235722D+01  0.502015D+00
      3  -0.103519D+00 -0.657010D-01 -0.299909D+00  0.502015D+00  0.343198D+00
               166           167           168           169           170 
      1  -0.170073D+01  0.238434D+01  0.418468D+00 -0.435989D+00  0.545800D+00
      2   0.238434D+01 -0.791252D+01 -0.119233D+01  0.545800D+00 -0.109208D+01
      3   0.418468D+00 -0.119233D+01 -0.914608D+00  0.665005D-01 -0.271155D+00
               171 
      1   0.665005D-01
      2  -0.271155D+00
      3  -0.240520D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.168204D+01  0.125009D+01  0.330680D+01 -0.263258D+01  0.715969D+00
      2   0.124671D+01 -0.325210D+01  0.104590D+02  0.125215D+00  0.320224D+01
      3   0.231077D+01 -0.110012D+02  0.210076D+01 -0.186126D+01  0.938267D+01
                 6             7             8             9            10 
      1  -0.671513D+01 -0.679030D+00  0.148207D+01 -0.856486D+01 -0.482924D+00
      2  -0.148606D+01  0.395277D+01 -0.105045D+01 -0.124167D+02  0.190726D+01
      3  -0.236765D+01  0.204556D+01 -0.142624D+01  0.879629D+00 -0.236275D+01
                11            12            13            14            15 
      1   0.340450D+00 -0.702923D-01  0.332345D+01  0.204480D+01 -0.414789D+00
      2   0.391697D+00 -0.272500D+01 -0.101040D+01 -0.436818D+01  0.379341D+01
      3   0.339198D+01  0.171086D+00  0.169023D+02  0.141701D+01  0.243653D+01
                16            17            18            19            20 
      1   0.477775D+00  0.380714D+01 -0.132744D+01  0.327183D+00 -0.422952D+00
      2  -0.122134D+02  0.530388D+01  0.123079D+02  0.308392D+01  0.372328D+00
      3   0.617305D+00  0.406205D+01 -0.807292D+01  0.130183D+01  0.116550D+01
                21            22            23            24            25 
      1  -0.239367D+01 -0.199398D+00  0.146112D+01  0.168958D+00  0.961166D+00
      2  -0.388936D+01 -0.137596D+01  0.107992D+01  0.756689D+00 -0.270657D+01
      3  -0.107302D+01  0.107049D+01  0.811120D+00 -0.769188D+00 -0.268817D+00
                26            27            28            29            30 
      1   0.846613D+00  0.114222D+02 -0.232197D+00 -0.151906D+01  0.866232D-01
      2  -0.312934D+01  0.168362D+02 -0.241072D+01  0.692234D+00  0.342126D+01
      3  -0.304036D+01  0.380573D+01  0.616898D+00 -0.371343D+01 -0.436624D+00
                31            32            33            34            35 
      1  -0.203171D+01  0.108221D+01 -0.882820D+00  0.653525D-01  0.242458D+01
      2   0.376075D+00 -0.516064D+00 -0.356871D+01  0.137279D+01 -0.321930D+01
      3  -0.239427D+01  0.205060D+01  0.236705D+01 -0.438196D+00  0.281086D+01
                36            37            38            39            40 
      1  -0.334505D+00 -0.216922D+01 -0.440888D+00 -0.288111D+01 -0.958738D+00
      2  -0.138129D+02  0.343077D+01  0.182467D+00  0.694421D+01  0.106419D+01
      3   0.436899D+01 -0.187816D+02 -0.101902D+02  0.262361D+01 -0.200099D+01
                41            42            43            44            45 
      1  -0.456704D+01  0.363922D+01  0.126918D+01  0.780504D+01  0.412065D+01
      2   0.594248D+01 -0.110210D+02 -0.168733D+01 -0.117920D+02 -0.100905D+02
      3   0.738424D+01 -0.650458D+01  0.210537D+01 -0.611362D+01  0.152143D+02
                46            47            48            49            50 
      1   0.954469D+00  0.132330D+01  0.156618D+01  0.374117D+01 -0.191998D+01
      2  -0.202545D+01 -0.774876D+00 -0.160284D+00 -0.964059D+00 -0.643672D+00
      3   0.822927D+01  0.657730D+01  0.110952D+00  0.181876D+02  0.970654D+00
                51            52            53            54            55 
      1   0.211179D+01  0.445602D+00  0.114307D+02  0.114588D+01 -0.482127D+00
      2  -0.702113D+00 -0.148937D+02 -0.659429D+00 -0.111387D+00  0.284376D+01
      3  -0.163684D+00 -0.229009D+01 -0.294549D+01  0.428419D+00 -0.942879D+00
                56            57            58            59            60 
      1  -0.136687D+00  0.885517D+00 -0.159305D+00 -0.131975D+01 -0.425668D+01
      2  -0.196268D+00 -0.127142D+01 -0.659479D+00  0.288464D+01  0.502781D+01
      3   0.157809D+01  0.145078D+01  0.220801D+01 -0.508957D+01 -0.314903D+01
                61            62            63            64            65 
      1  -0.763160D+00 -0.737413D+00 -0.908261D+01  0.305470D+00 -0.517684D-01
      2  -0.173338D+01  0.623224D+01  0.164096D+02 -0.231167D+01  0.678988D+00
      3   0.143178D+01 -0.569212D+01 -0.751576D+01 -0.289831D+01  0.279477D+01
                66            67            68            69            70 
      1   0.136799D+01  0.187968D+00  0.159498D+01 -0.505487D+01  0.359478D+00
      2  -0.139104D+01  0.832340D+00 -0.637895D+01  0.648981D+01 -0.191818D+01
      3  -0.220967D+01  0.410600D+01 -0.152437D+02  0.783457D+01 -0.203525D+01
                71            72            73            74            75 
      1  -0.143926D+01  0.400392D+01  0.215227D+00 -0.355366D+00 -0.124246D+01
      2   0.623446D+01 -0.704263D+01 -0.564040D+00  0.314437D+00  0.573923D+01
      3   0.926641D+01 -0.826447D+01  0.140783D+02 -0.600297D+01 -0.112495D+01
                76            77            78            79            80 
      1  -0.217751D+00  0.351674D+00 -0.519692D+00 -0.110419D+01  0.505872D+00
      2   0.782441D-01 -0.516142D+00 -0.253057D+00  0.241779D+01  0.115699D+01
      3  -0.293518D+01  0.198079D+01  0.960744D+00 -0.120473D+01  0.140216D+01
                81            82            83            84            85 
      1  -0.175437D+00 -0.147224D+01  0.495064D+00 -0.378565D+01  0.964550D+00
      2   0.169341D+00 -0.285976D+01 -0.466564D-01 -0.214155D+01  0.297156D+01
      3  -0.457847D+00 -0.640940D+01  0.183654D+00  0.148306D+01  0.484808D+01
                86            87            88            89            90 
      1   0.319582D+00 -0.257776D+01 -0.631269D+01  0.231254D+01  0.903057D+00
      2  -0.423894D+00 -0.243777D+00 -0.137063D+02 -0.647623D-01  0.642009D+00
      3   0.455802D+01 -0.769670D+00  0.181817D+01 -0.126058D-02  0.523341D+01
                91            92            93            94            95 
      1   0.235644D+01 -0.944119D+00  0.240851D+01  0.198312D+00  0.181856D+00
      2   0.876341D+00  0.423147D+00  0.325918D+00  0.874878D+00  0.230520D+01
      3   0.359563D+01 -0.121107D+02 -0.143704D+01  0.617736D+01  0.178121D+01
                96            97            98            99           100 
      1  -0.376142D+01  0.571359D+01  0.164094D+01 -0.126179D+01 -0.141776D+00
      2  -0.729688D+01 -0.767537D+01 -0.107381D+02 -0.229172D+01 -0.259719D+00
      3  -0.152512D+01  0.162926D+00 -0.828512D+00  0.561303D+01 -0.844493D+00
               101           102           103           104           105 
      1   0.700235D+00  0.781020D+00 -0.279932D-01 -0.203785D+01  0.358702D+01
      2  -0.190174D+00  0.954335D+01 -0.239723D+01  0.289953D+00  0.152313D+00
      3  -0.780963D+01  0.133241D+00  0.125418D+02 -0.342211D+01 -0.196090D+01
               106           107           108           109           110 
      1   0.122808D+01  0.118694D+02  0.161899D+01 -0.148625D+01 -0.287332D+00
      2   0.932361D+01 -0.583046D+00 -0.245354D+01  0.136740D+01  0.212062D+01
      3   0.201503D+01 -0.686156D+00 -0.721180D+00  0.193585D+01 -0.145416D+02
               111           112           113           114           115 
      1  -0.348280D+01  0.135140D+01  0.373549D+00 -0.283570D+01 -0.671161D+01
      2   0.189123D+01 -0.778948D+00 -0.206531D+01  0.703955D+01 -0.513773D+01
      3  -0.165582D+01  0.316259D+01  0.240292D+01  0.138971D+01  0.271027D+00
               116           117           118           119           120 
      1   0.295116D+01  0.121047D+01  0.216583D+00 -0.301955D+00  0.299697D+01
      2   0.107677D+02  0.233217D+01 -0.318791D+01  0.100752D+01 -0.194486D+01
      3   0.328469D+01 -0.456713D+01 -0.235205D+01 -0.879077D+00 -0.149143D+01
               121           122           123           124           125 
      1  -0.137062D+01 -0.368137D+00 -0.329609D+01  0.537045D+01  0.188256D+01
      2   0.413477D+00  0.652659D+00  0.147444D+01 -0.141711D+02  0.128081D+01
      3   0.908619D+00 -0.881934D+01  0.863373D-01 -0.273407D+01  0.438473D+00
               126           127           128           129           130 
      1  -0.150597D+01  0.195110D+00  0.241846D+00 -0.125300D+01 -0.281400D+00
      2   0.188021D+01 -0.643654D+00 -0.138666D+00  0.319049D+00 -0.679574D-01
      3  -0.593073D+01  0.996067D+01  0.469545D+01 -0.522970D-01  0.827212D+01
               131           132           133           134           135 
      1  -0.319850D+00 -0.322611D+01  0.491332D+00  0.183742D+01 -0.698592D-01
      2  -0.465759D+00  0.959556D+00 -0.179625D+01 -0.412471D+00  0.302736D-02
      3   0.702508D+01  0.447180D+00 -0.406436D+00  0.237213D+00 -0.546520D-02
               136           137           138           139           140 
      1  -0.267354D+00  0.157290D+00  0.189656D+01  0.170744D+00  0.135748D+00
      2  -0.547574D+00  0.798856D+00  0.196936D+01  0.625720D+00 -0.212935D+01
      3   0.934792D+00 -0.335607D+01 -0.446725D+00 -0.204620D+01  0.135485D+02
               141           142           143           144           145 
      1  -0.411193D+01 -0.533977D+00  0.192717D+01 -0.355115D+00 -0.149770D+00
      2  -0.300764D+01 -0.479148D+00  0.491851D+00 -0.340897D+00 -0.186775D+01
      3   0.179409D+01 -0.431743D+00  0.167569D+01 -0.231354D-01 -0.398715D+00
               146           147           148           149           150 
      1  -0.351873D+00  0.251974D+00 -0.195846D+00 -0.674382D-03 -0.425259D+00
      2  -0.195304D-01  0.613279D+01  0.824619D+00 -0.287299D+00 -0.381756D+00
      3  -0.519527D+01  0.108317D+00 -0.405604D+01  0.319985D+00  0.363171D+00
               151           152           153           154           155 
      1  -0.591067D-01  0.510181D+00 -0.115577D-01  0.256651D+00  0.452391D+00
      2  -0.302624D+01 -0.164853D-01 -0.514088D+00 -0.498564D+00 -0.415814D+00
      3  -0.907424D+00  0.529362D+00  0.192216D+00 -0.127593D+01 -0.468599D+01
               156           157           158           159           160 
      1  -0.205363D+01 -0.119370D+00  0.145768D+00 -0.364848D+01  0.800906D+00
      2   0.230992D+01  0.181097D+00  0.379422D+00  0.293210D+01 -0.833891D+00
      3  -0.118105D-01 -0.326511D+01 -0.126043D+02 -0.512729D+00 -0.339659D+00
               161           162           163           164           165 
      1   0.160879D+01 -0.158928D+00  0.374684D+00 -0.148660D+00  0.161445D+01
      2  -0.654888D+00  0.151264D+00  0.102184D+01 -0.575887D+00  0.324445D+00
      3  -0.132372D+01 -0.183241D+00 -0.734958D+01  0.419721D+01  0.385227D+00
               166           167           168           169           170 
      1  -0.344095D+00  0.753697D+00 -0.363646D+01 -0.367393D+00  0.223655D+01
      2  -0.111338D+01  0.105811D+01 -0.664692D+00 -0.174421D+01  0.198929D+00
      3   0.682998D+01 -0.780045D+01 -0.135841D+01  0.589242D+00 -0.164944D+01
               171 
      1  -0.204796D+00
      2  -0.255710D+00
      3   0.620256D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174048D+02 -0.268263D+01 -0.106760D+01 -0.561041D+01 -0.207103D+01
      2  -0.798711D+01 -0.309647D+01 -0.272134D+01 -0.123406D+01  0.150119D+02
      3  -0.941769D+01  0.577911D+01  0.378894D+01  0.684447D+01 -0.129409D+02
      4  -0.174878D+02  0.222297D+02 -0.380403D+01  0.292150D+02 -0.262118D+02
      5   0.708955D+01 -0.434808D+01  0.149943D+02 -0.588690D+01  0.703063D+01
      6  -0.321507D+01  0.307326D+01 -0.558428D+01  0.524151D+01 -0.753535D+01
                 6             7             8             9            10 
      1   0.305779D+01  0.468684D+00 -0.810300D+00  0.118135D+02  0.116390D+02
      2  -0.205634D+00  0.171412D+01 -0.291252D+01  0.268740D+01 -0.689634D+01
      3  -0.285216D+01 -0.218281D+01  0.372282D+01 -0.145009D+02 -0.474267D+01
      4   0.735085D+01 -0.627007D+01  0.401996D+01 -0.924969D+01  0.526785D+01
      5  -0.370146D+01  0.126980D+02 -0.669247D+01 -0.182123D+02  0.477472D+01
      6   0.959624D+01 -0.546276D+01  0.534454D+01  0.810083D+01 -0.229436D+01
                11            12            13            14            15 
      1  -0.173839D+01  0.109114D+01 -0.728597D+01 -0.929160D+01  0.915286D+00
      2  -0.177146D+01 -0.201774D+01 -0.737140D+00 -0.159335D+01  0.153658D+01
      3   0.350985D+01  0.926601D+00  0.802311D+01  0.108849D+02 -0.245187D+01
      4  -0.237033D+02  0.455787D+00 -0.353431D+02 -0.236021D+01 -0.520001D+01
      5   0.525112D+00 -0.126505D+02  0.369521D+01 -0.450189D+01  0.932905D+01
      6  -0.213743D+01  0.981403D+00 -0.284744D+01  0.189641D+01 -0.658158D+01
                16            17            18            19            20 
      1  -0.109799D+02  0.211651D+01 -0.153242D+01 -0.510252D+00 -0.218938D+01
      2  -0.743862D+01  0.645140D+01  0.114518D+02 -0.447794D+00  0.113824D+01
      3   0.184185D+02 -0.856791D+01 -0.991938D+01  0.958046D+00  0.105113D+01
      4   0.504853D+01 -0.927905D+01  0.172834D+02  0.148511D-01 -0.215958D+01
      5  -0.175740D+02  0.158678D+02  0.306914D+02  0.129992D+01  0.475027D+00
      6   0.940128D+01  0.108162D+01 -0.669143D+01 -0.634226D-01 -0.152413D+01
                21            22            23            24            25 
      1   0.620144D+01 -0.521967D-01 -0.271605D+01  0.508590D-01  0.596776D+01
      2  -0.309969D+00 -0.987333D+00  0.220764D+01 -0.280049D+01 -0.351429D+01
      3  -0.589147D+01  0.103953D+01  0.508407D+00  0.274963D+01 -0.245347D+01
      4  -0.676135D+00  0.126100D+01 -0.171925D+01  0.214734D+01 -0.562829D+01
      5  -0.442591D+01  0.153937D+00  0.177629D+01  0.141551D+01  0.674283D+01
      6   0.330199D+01  0.549523D+00 -0.167753D+01  0.297871D+01 -0.166037D+01
                26            27            28            29            30 
      1   0.265014D+01 -0.149177D+02  0.606588D+01 -0.945797D+00 -0.448258D+01
      2  -0.103846D+01 -0.935550D+01 -0.698430D+01  0.138209D+01  0.507132D+01
      3  -0.161168D+01  0.242732D+02  0.918428D+00 -0.436295D+00 -0.588745D+00
      4   0.697474D+01 -0.321806D+01 -0.307243D+01  0.763572D+01  0.278090D+01
      5  -0.500154D+01  0.265467D+02 -0.108076D+02  0.271701D+01  0.135698D+02
      6   0.513609D+01 -0.150895D+02  0.279176D+01 -0.281646D+00 -0.140667D+01
                31            32            33            34            35 
      1  -0.309724D+00 -0.248724D+01 -0.259181D+01 -0.314608D+01 -0.341602D+01
      2   0.188443D+01 -0.283714D+00 -0.660815D+00  0.105306D+02 -0.232702D+01
      3  -0.157470D+01  0.277096D+01  0.325262D+01 -0.738453D+01  0.574305D+01
      4   0.108516D+02 -0.578877D+01 -0.570438D+01  0.403257D+01 -0.725036D+01
      5   0.367307D+01 -0.508929D+01 -0.835837D+01  0.204518D+02 -0.885134D+01
      6  -0.203096D+01  0.415127D+01  0.946562D+01 -0.539237D+01  0.577165D+01
                36            37            38            39            40 
      1  -0.102622D+02 -0.555609D+02  0.133897D+01  0.714700D+01  0.173318D+02
      2  -0.167861D+02  0.349616D+02  0.580916D+01 -0.477675D+01 -0.394623D+01
      3   0.270482D+02  0.205993D+02 -0.714813D+01 -0.237025D+01 -0.133855D+02
      4  -0.102033D+02  0.517185D+01  0.212669D+02 -0.841129D-01  0.219256D+02
      5  -0.345546D+02  0.789308D+01 -0.128556D+01  0.100472D+02 -0.804046D+00
      6   0.105311D+02  0.341187D+01 -0.111147D+01  0.642991D+01 -0.137204D+00
                41            42            43            44            45 
      1   0.183219D+02 -0.519432D+01  0.756963D+01 -0.353602D+01  0.170289D+02
      2  -0.712911D+01  0.671481D+01 -0.177375D+01  0.658706D+01 -0.119556D+02
      3  -0.111928D+02 -0.152049D+01 -0.579588D+01 -0.305103D+01 -0.507322D+01
      4   0.373730D+01  0.868845D+01  0.290974D+01  0.102869D+02 -0.176244D+02
      5   0.883338D+01 -0.186601D+02  0.206369D+01 -0.197986D+02 -0.198422D+02
      6   0.899272D+01 -0.119088D+02  0.932443D-01 -0.143486D+02 -0.665503D+01
                46            47            48            49            50 
      1  -0.223062D+02 -0.696112D+00 -0.121721D+01  0.432372D+01 -0.297559D+01
      2   0.769697D+01  0.694499D+00 -0.558989D+00  0.196130D+00  0.107765D+02
      3   0.146092D+02  0.161254D-02  0.177619D+01 -0.451985D+01 -0.780086D+01
      4  -0.114946D+02  0.753443D+01 -0.239905D+00 -0.779602D+01  0.182204D+01
      5  -0.261833D+01 -0.212104D+00  0.352233D+01 -0.196025D+01  0.178476D+00
      6  -0.878753D+00 -0.336274D+00 -0.208277D+01  0.699378D+00  0.190136D+01
                51            52            53            54            55 
      1  -0.267454D-01  0.570264D+01  0.384662D+00 -0.918027D+01  0.388375D+01
      2   0.234214D+01 -0.223259D+01  0.352475D+00 -0.401057D+01 -0.283724D+01
      3  -0.231540D+01 -0.347005D+01 -0.737137D+00  0.131908D+02 -0.104650D+01
      4   0.677563D+00 -0.691288D+00  0.281642D+01 -0.170564D+01  0.468917D+00
      5  -0.203660D+01  0.479337D+01 -0.186803D+01 -0.139831D+00  0.223631D+01
      6  -0.425371D+01  0.132013D-01  0.490141D+01 -0.116479D+01  0.222725D+01
                56            57            58            59            60 
      1   0.222850D+01  0.417440D+01  0.156739D+01 -0.679919D+01 -0.441257D+01
      2  -0.208819D+01 -0.117902D+01  0.703264D-01  0.716200D+01  0.451408D+01
      3  -0.140317D+00 -0.299538D+01 -0.163771D+01 -0.362809D+00 -0.101518D+00
      4  -0.148624D+01  0.159237D+01  0.338237D+01  0.868967D+01  0.504605D+01
      5   0.448895D+00 -0.414800D+00  0.671356D+00  0.519762D+01  0.889295D+01
      6  -0.694885D+00 -0.171040D+01  0.689361D+00  0.562674D+01  0.109235D+02
                61            62            63            64            65 
      1   0.783507D+01 -0.409748D+01 -0.127283D+02  0.890530D+00  0.494202D+01
      2  -0.434751D+01  0.406217D+01  0.100609D+00  0.542063D-01 -0.434596D+01
      3  -0.348755D+01  0.353188D-01  0.126276D+02 -0.944736D+00 -0.596053D+00
      4   0.796499D+01  0.105477D+02  0.104626D+02  0.251155D+00 -0.108157D+01
      5   0.676863D+01  0.119600D+02  0.299744D+02 -0.207597D+01  0.347870D+00
      6   0.191500D+01  0.111645D+02  0.191319D+02 -0.254999D+01  0.227398D+01
                66            67            68            69            70 
      1  -0.508477D+01  0.478849D+01 -0.159403D+02  0.885581D+01 -0.610098D+01
      2   0.260602D+01 -0.199219D+01  0.225695D+02 -0.100965D+02  0.275866D+01
      3   0.247875D+01 -0.279629D+01 -0.662920D+01  0.124068D+01  0.334232D+01
      4  -0.823028D+00  0.706513D+01  0.242946D+02 -0.116038D+02 -0.673187D+01
      5  -0.105802D+01 -0.160247D+01 -0.120202D+02  0.126581D+02  0.383220D+01
      6  -0.298376D+01 -0.102782D+01 -0.138090D+02  0.129309D+02  0.106854D+01
                71            72            73            74            75 
      1   0.896415D+01 -0.119452D+02  0.880462D+02  0.999747D+00 -0.540828D+01
      2  -0.938833D+01  0.562153D+01 -0.474953D+02  0.162185D+01  0.356320D+01
      3   0.424185D+00  0.632371D+01 -0.405509D+02 -0.262160D+01  0.184508D+01
      4  -0.154417D+02  0.117165D+02  0.180996D+02  0.106188D+02 -0.103519D+01
      5   0.129470D+02 -0.130205D+02 -0.796180D+01 -0.103560D+00  0.106386D+02
      6   0.137776D+02 -0.132557D+02 -0.193405D+01 -0.296191D+00  0.251886D+01
                76            77            78            79            80 
      1  -0.139384D+02  0.526553D+01  0.115893D+01 -0.605241D+01  0.409636D+00
      2   0.958248D+01 -0.222577D+01 -0.126924D+01  0.407464D+01 -0.102534D+01
      3   0.435597D+01 -0.303976D+01  0.110304D+00  0.197777D+01  0.615700D+00
      4   0.753651D+01 -0.120986D+01 -0.141380D+01 -0.161864D+01 -0.243184D+01
      5   0.854392D+00 -0.162238D+01 -0.898021D+00  0.126383D+02  0.205430D+01
      6  -0.199714D+00 -0.578142D+00  0.165240D+01  0.185303D+01  0.255703D+01
                81            82            83            84            85 
      1   0.617373D+01  0.709561D+01 -0.161204D+02 -0.252017D+01  0.109364D+01
      2  -0.446026D+01 -0.614128D+01  0.111806D+02  0.819057D+00 -0.121920D+02
      3  -0.171347D+01 -0.954335D+00  0.493984D+01  0.170112D+01  0.110983D+02
      4   0.299758D+01 -0.550727D+01 -0.155664D+02  0.604223D+00  0.448659D+01
      5  -0.156305D+01 -0.146623D+01  0.904664D+00 -0.379798D+01  0.854140D+00
      6   0.243673D+00  0.277477D+01  0.669226D+00  0.813304D+01 -0.440270D+01
                86            87            88            89            90 
      1   0.116191D+01  0.124699D+01 -0.718430D+00  0.420585D+01 -0.152600D+02
      2  -0.633099D+01 -0.161885D+01 -0.778030D+00 -0.500801D+01  0.297811D+01
      3   0.516908D+01  0.371865D+00  0.149646D+01  0.802160D+00  0.122819D+02
      4  -0.130912D+02 -0.131049D+01 -0.929051D+00  0.260811D+01 -0.325963D+01
      5  -0.129309D+01  0.144925D+01  0.290662D+01 -0.399126D+01  0.195510D+01
      6  -0.204601D+01  0.696655D+01  0.377215D+01  0.148634D+02 -0.151171D+01
                91            92            93            94            95 
      1   0.111384D+01  0.210941D+02  0.101123D+00 -0.276175D+02  0.931994D+01
      2  -0.225815D+01 -0.128050D+02 -0.105723D+00  0.270141D+02 -0.152709D+02
      3   0.114430D+01 -0.828904D+01  0.460017D-02  0.603348D+00  0.595094D+01
      4   0.122470D+02 -0.423887D+01 -0.482392D+01  0.802466D+01  0.680239D+01
      5   0.338262D+01 -0.497596D+01 -0.547905D+00 -0.960150D+00  0.452074D+01
      6  -0.513028D+01  0.378062D+01 -0.600019D+01  0.343072D+01 -0.676008D+01
                96            97            98            99           100 
      1   0.868147D+00 -0.104190D+01 -0.339220D+01 -0.485345D+01 -0.104952D+02
      2  -0.489567D+01  0.433223D+01 -0.264327D+01 -0.453852D+01  0.520683D+01
      3   0.402752D+01 -0.329033D+01  0.603547D+01  0.939197D+01  0.528832D+01
      4   0.453227D+01 -0.517525D+01  0.739665D+01 -0.170145D+02  0.140219D+01
      5  -0.152862D+02  0.151547D+02 -0.166701D+02 -0.530964D+01  0.841462D+01
      6   0.815303D+01 -0.683483D+01  0.159906D+02  0.322343D+01  0.325994D+00
               101           102           103           104           105 
      1   0.189138D+01  0.657486D+01 -0.264399D+01 -0.199633D+02 -0.345629D+01
      2  -0.129998D+01 -0.350367D+01  0.205671D+01  0.183686D+02  0.617104D+01
      3  -0.591401D+00 -0.307119D+01  0.587287D+00  0.159469D+01 -0.271475D+01
      4   0.255885D+02  0.239364D+00 -0.229466D+02  0.551971D+01  0.325679D+01
      5   0.193154D+00  0.216217D+02 -0.722244D+01  0.253090D+01 -0.206671D-02
      6  -0.533239D+00 -0.152982D+01  0.320890D+01  0.218125D+01 -0.783289D+01
               106           107           108           109           110 
      1   0.907308D+01 -0.416349D+01  0.153933D+02  0.177752D+01 -0.226616D+02
      2  -0.326391D+01  0.339089D+01 -0.197666D+02 -0.405613D+01  0.122451D+02
      3  -0.580917D+01  0.772606D+00  0.437332D+01  0.227862D+01  0.104165D+02
      4  -0.750270D+01 -0.127504D+01 -0.839155D+00 -0.177468D+02  0.170196D+01
      5   0.377781D+02 -0.247821D+00 -0.515794D+01  0.169761D+00  0.462653D+01
      6  -0.941487D+00  0.552277D+01 -0.277668D+01  0.323166D+01  0.251620D+01
               111           112           113           114           115 
      1  -0.346433D+01  0.280709D+02  0.610540D+01  0.898058D+00  0.580918D+01
      2  -0.347155D+00 -0.281124D+02 -0.122213D+02 -0.707643D+00 -0.594397D+01
      3   0.381148D+01  0.415742D-01  0.611593D+01 -0.190415D+00  0.134784D+00
      4   0.457222D+01  0.498425D+01 -0.140010D+02 -0.583809D+01  0.200756D+01
      5   0.393828D+01 -0.179945D+01 -0.525899D+01  0.152402D+02  0.194817D+02
      6   0.754099D+01 -0.466907D+01 -0.335531D+01  0.750332D+01  0.805705D+01
               116           117           118           119           120 
      1   0.510350D+01 -0.517418D-01  0.896521D+01  0.124516D+02 -0.934621D-01
      2  -0.612667D+01 -0.711584D+01 -0.668141D+01 -0.787285D+01  0.195031D+01
      3   0.102317D+01  0.716758D+01 -0.228380D+01 -0.457875D+01 -0.185685D+01
      4  -0.416746D+01  0.162316D+02  0.102981D+02 -0.190769D+02 -0.300119D+01
      5   0.166446D+02  0.503183D+01 -0.855332D+00 -0.330817D+01 -0.517745D+01
      6   0.147203D+02 -0.129383D+01 -0.224161D+01  0.158680D+01 -0.609959D+01
               121           122           123           124           125 
      1  -0.288968D+01  0.557581D+01  0.382562D+01 -0.167806D+01 -0.122393D-01
      2   0.101431D+02 -0.110306D+02 -0.429475D+01  0.296675D+01 -0.411218D+01
      3  -0.725344D+01  0.545479D+01  0.469133D+00 -0.128869D+01  0.412442D+01
      4   0.100896D+02  0.139886D+02  0.178743D+01  0.213446D+01  0.335342D+01
      5   0.931651D+00  0.162279D+01  0.254145D+00 -0.802820D+00  0.565670D+01
      6   0.383508D+01 -0.655126D+01  0.618346D+01 -0.380186D+01  0.142453D+02
               126           127           128           129           130 
      1  -0.171366D+02 -0.247757D+01 -0.599725D+01 -0.462247D-01 -0.807475D+01
      2   0.237802D+01  0.560196D+01  0.912435D+01  0.252984D+00  0.116411D+02
      3   0.147586D+02 -0.312439D+01 -0.312710D+01 -0.206759D+00 -0.356635D+01
      4   0.576745D+01  0.847789D+01  0.774054D+01  0.288918D+00  0.725426D+01
      5   0.474979D+01  0.342624D+00  0.464350D+00  0.944353D+00  0.551179D+00
      6   0.474509D+01 -0.323904D+00 -0.159021D+00  0.104884D+01  0.624175D+00
               131           132           133           134           135 
      1  -0.241809D+02 -0.127794D+01 -0.100544D+01 -0.178154D+01 -0.673895D+00
      2   0.334891D+02  0.124657D+01  0.983983D+00  0.220068D+01  0.123769D+01
      3  -0.930818D+01  0.313693D-01  0.214567D-01 -0.419138D+00 -0.563797D+00
      4   0.643781D+01  0.240218D+00  0.325043D+00 -0.298512D+00  0.115790D+01
      5   0.898967D+00  0.931648D+00  0.430491D+00  0.680843D+00  0.193705D-01
      6   0.149585D+01  0.472140D+01  0.432755D+00  0.115794D+01  0.560821D+00
               136           137           138           139           140 
      1   0.840517D+01 -0.681423D+01 -0.908472D+00 -0.857391D+00 -0.106609D+02
      2   0.282687D+01 -0.496895D+01 -0.241801D+00 -0.119578D+02  0.338573D+02
      3  -0.112320D+02  0.117832D+02  0.115027D+01  0.128151D+02 -0.231964D+02
      4  -0.235247D+02  0.271648D+02  0.424423D+01  0.290371D+02 -0.502405D+02
      5  -0.352253D+01  0.381047D+01  0.456362D+01  0.376454D+01 -0.593554D+01
      6   0.281808D+01 -0.324201D+01 -0.267934D+01 -0.393958D+01  0.816623D+01
               141           142           143           144           145 
      1  -0.158963D+01 -0.743009D+00 -0.667621D+00 -0.566124D+00  0.103169D+03
      2   0.328630D+01 -0.146677D+01  0.384790D+01  0.173085D+01 -0.593499D+02
      3  -0.169667D+01  0.220978D+01 -0.318028D+01 -0.116472D+01 -0.438188D+02
      4  -0.684748D+01  0.545087D+01 -0.817495D+01 -0.226901D+01 -0.608032D+01
      5  -0.473639D+01  0.166810D+01 -0.159385D+01 -0.125164D+01 -0.107346D+02
      6   0.711150D+01 -0.155977D+01  0.269573D+01  0.172187D+01 -0.113247D+01
               146           147           148           149           150 
      1  -0.291369D+01 -0.759149D+01 -0.269989D+01  0.971873D+01  0.101165D+01
      2   0.139519D+01  0.516247D+01  0.117026D+01 -0.490170D+01 -0.914258D+00
      3   0.151849D+01  0.242902D+01  0.152962D+01 -0.481703D+01 -0.973896D-01
      4   0.834969D+01  0.413220D+00  0.156268D+02 -0.152348D+01 -0.123187D+01
      5   0.241240D+00  0.992222D+01  0.187733D+01 -0.114730D+01 -0.594051D+00
      6  -0.527120D+00 -0.118410D+00 -0.908019D+00 -0.123586D+00  0.177574D+01
               151           152           153           154           155 
      1  -0.976766D+01  0.118252D+01  0.282968D+01  0.158122D+02  0.112301D+02
      2   0.579505D+01 -0.849160D+00 -0.150139D+01 -0.365252D+00  0.320740D+01
      3   0.397260D+01 -0.333355D+00 -0.132829D+01 -0.154470D+02 -0.144375D+02
      4   0.235690D+01 -0.989015D+00 -0.425712D+00  0.297179D+02  0.306766D+02
      5   0.209476D+01 -0.301071D+00 -0.180708D+01  0.186878D+01  0.139881D+01
      6  -0.436496D-01  0.629766D+00  0.367434D+00  0.319919D+00  0.152941D+00
               156           157           158           159           160 
      1   0.652051D+00  0.551551D+01 -0.160590D+01 -0.424087D-01 -0.846668D+00
      2  -0.149179D+00  0.974642D+01  0.245166D+02  0.575590D+00  0.112459D+01
      3  -0.502871D+00 -0.152619D+02 -0.229107D+02 -0.533182D+00 -0.277921D+00
      4   0.947887D+00  0.334283D+02  0.490980D+02  0.294335D+01  0.116210D+01
      5   0.464487D+01  0.285275D+01  0.384973D+01  0.446382D+01  0.128865D+01
      6   0.254310D+01  0.163465D+01  0.243626D+01  0.571566D+01  0.112587D+01
               161           162           163           164           165 
      1  -0.107077D+01 -0.336204D+00 -0.517325D+01  0.832226D+01  0.221360D+01
      2   0.207012D+01  0.128476D+01  0.627923D+01 -0.104192D+02 -0.164954D+01
      3  -0.999344D+00 -0.948555D+00 -0.110598D+01  0.209693D+01 -0.564060D+00
      4   0.259659D+01  0.194344D+01 -0.519897D+01  0.660878D+01  0.109379D+01
      5   0.107307D+01  0.199632D+00 -0.226308D+00  0.825687D+00  0.137656D+01
      6   0.173904D+01  0.696348D+00  0.186262D+01 -0.320962D+01 -0.230291D+01
               166           167           168           169           170 
      1   0.841898D+01 -0.299795D+02 -0.512770D+01  0.151895D+01 -0.389952D+01
      2  -0.106068D+02  0.394328D+02  0.473724D+01 -0.165672D+01  0.463803D+01
      3   0.218781D+01 -0.945330D+01  0.390457D+00  0.137772D+00 -0.738512D+00
      4   0.522573D+01 -0.293981D+01 -0.317096D+00  0.115441D+01 -0.129250D+01
      5   0.356150D+00  0.429096D+00 -0.361437D+00  0.893724D+00 -0.563871D+00
      6  -0.254751D+01  0.833360D+01  0.661026D+01 -0.730633D+00  0.285269D+01
               171 
      1  -0.160238D+01
      2   0.221214D+01
      3  -0.609758D+00
      4  -0.175136D+01
      5  -0.110620D+01
      6   0.186161D+01
 Leave Link  716 at Thu Aug 12 19:58:48 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.133309D+03  0.130438D+01 -0.279673D+01
      2   0.130438D+01  0.109803D+03  0.274539D+01
      3  -0.279673D+01  0.274539D+01  0.717113D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.157472D+01 -0.397265D+01 -0.588109D+01
      2   0.133270D+02 -0.735922D+01  0.306013D+01
      3   0.110810D+02  0.410077D+02  0.707769D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.946750D+02 -0.871450D+01  0.100904D+02
      2   0.438930D+02  0.243101D+02 -0.513795D+01
      3   0.507820D+02 -0.155956D+02 -0.495245D+01
      4   0.239492D+02 -0.721080D+02 -0.177023D+02
      5   0.727140D+01 -0.177952D+02  0.847341D+01
      6  -0.607609D+01 -0.243189D+01  0.132228D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.415184D+01 -0.256577D+01  0.112446D+01 -0.529323D+01  0.379058D+01
      2  -0.256577D+01  0.211896D+01 -0.988318D+00  0.379058D+01 -0.431122D+01
      3   0.112446D+01 -0.988318D+00  0.137789D+01 -0.687302D+00  0.134233D+01
                 6             7             8             9            10 
      1  -0.687302D+00 -0.816732D+00 -0.725819D+00  0.105075D+01 -0.530392D+01
      2   0.134233D+01 -0.725819D+00  0.100299D+00 -0.954968D+00  0.996612D+00
      3  -0.149519D+00  0.105075D+01 -0.954968D+00 -0.567593D+01  0.111502D+01
                11            12            13            14            15 
      1   0.996612D+00  0.111502D+01  0.281251D+01 -0.525859D+01  0.205350D+00
      2  -0.252855D+01  0.370892D+00 -0.525859D+01 -0.232118D+00 -0.862900D+00
      3   0.370892D+00 -0.944629D+00  0.205350D+00 -0.862900D+00  0.198550D+01
                16            17            18            19            20 
      1   0.290407D+01  0.190277D+00 -0.297006D+01 -0.982094D+00  0.193873D+00
      2   0.190277D+00 -0.102271D+01  0.312227D+01  0.193873D+00 -0.257543D+00
      3  -0.297006D+01  0.312227D+01  0.768799D+01  0.176312D+00  0.373372D+00
                21            22            23            24            25 
      1   0.176312D+00  0.578414D+00  0.171561D+00  0.105502D+00  0.273058D+01
      2   0.373372D+00  0.171561D+00 -0.657058D+00  0.648758D+00 -0.684846D+00
      3  -0.155586D+01  0.105502D+00  0.648758D+00  0.291672D+00  0.940325D+00
                26            27            28            29            30 
      1  -0.684846D+00  0.940325D+00  0.242297D+01 -0.424884D+00 -0.197348D+01
      2   0.192887D+01 -0.134377D+01 -0.424884D+00  0.694979D+00  0.338087D+00
      3  -0.134377D+01  0.744288D+01 -0.197348D+01  0.338087D+00  0.146815D+01
                31            32            33            34            35 
      1  -0.211316D+01  0.182817D+01  0.562234D+00 -0.527366D+01  0.746822D+00
      2   0.182817D+01 -0.120329D+01 -0.120856D+01  0.746822D+00 -0.159166D+01
      3   0.562234D+00 -0.120856D+01 -0.189860D+01  0.321246D+01 -0.203583D+01
                36            37            38            39            40 
      1   0.321246D+01 -0.729204D+01  0.240903D+01  0.909926D+00  0.505730D+01
      2  -0.203583D+01  0.240903D+01  0.315825D+01 -0.316359D+00  0.294200D+01
      3  -0.816791D+01  0.909926D+00 -0.316359D+00  0.168326D+01 -0.148446D+00
                41            42            43            44            45 
      1   0.294200D+01 -0.148446D+00  0.451529D+00  0.298512D+00  0.265030D+00
      2  -0.669148D+00  0.186953D+01  0.298512D+00  0.217614D+01 -0.416668D+01
      3   0.186953D+01 -0.401162D+01  0.265030D+00 -0.416668D+01 -0.393425D+01
                46            47            48            49            50 
      1   0.194844D+02 -0.257822D+01 -0.617968D+00 -0.236023D+01 -0.167370D+01
      2  -0.257822D+01  0.278524D+01 -0.116190D+00 -0.167370D+01 -0.230729D+00
      3  -0.617968D+00 -0.116190D+00  0.228721D+01 -0.462176D+00  0.148455D+00
                51            52            53            54            55 
      1  -0.462176D+00 -0.515975D+00 -0.387366D+00  0.398074D+01  0.238840D+00
      2   0.148455D+00 -0.387366D+00 -0.542543D-01 -0.367304D+00  0.343179D-01
      3  -0.647434D+00  0.398074D+01 -0.367304D+00 -0.141686D+01  0.633381D+00
                56            57            58            59            60 
      1   0.343179D-01  0.633381D+00  0.883923D-01  0.216047D+00  0.114543D-01
      2  -0.568350D+00 -0.132660D+00  0.216047D+00  0.186288D+01  0.111405D+01
      3  -0.132660D+00 -0.709852D+00  0.114543D-01  0.111405D+01  0.167906D+01
                61            62            63            64            65 
      1   0.209614D+01  0.778440D+00  0.636518D+00 -0.752302D-01  0.270117D+00
      2   0.778440D+00  0.211173D+01  0.238667D+01  0.270117D+00 -0.898422D+00
      3   0.636518D+00  0.238667D+01  0.617790D+01 -0.595508D+00  0.401725D+00
                66            67            68            69            70 
      1  -0.595508D+00  0.121537D+01  0.401037D+00 -0.461193D-01 -0.171672D+01
      2   0.401725D+00  0.401037D+00  0.537655D+01 -0.261329D+01 -0.594624D+00
      3  -0.606428D+00 -0.461193D-01 -0.261329D+01  0.263846D+01  0.159795D+00
                71            72            73            74            75 
      1  -0.594624D+00  0.159795D+00  0.124630D+02  0.464294D+00 -0.796054D+00
      2  -0.335580D+01  0.276602D+01  0.464294D+00  0.100040D+01  0.573912D-02
      3   0.276602D+01 -0.301295D+01 -0.796054D+00  0.573912D-02  0.103585D+01
                76            77            78            79            80 
      1  -0.212485D+01  0.822050D+00  0.685105D-01 -0.992662D+00 -0.812933D-01
      2   0.822050D+00 -0.266538D+00 -0.255032D+00 -0.812933D-01 -0.451556D+00
      3   0.685105D-01 -0.255032D+00  0.966191D-03  0.133698D+01  0.431918D+00
                81            82            83            84            85 
      1   0.133698D+01 -0.645235D+01 -0.886260D+00 -0.147104D+00  0.965854D+01
      2   0.431918D+00 -0.886260D+00  0.400987D+01  0.760703D+00  0.839096D-01
      3  -0.730267D-01 -0.147104D+00  0.760703D+00  0.190213D+01 -0.393291D-02
                86            87            88            89            90 
      1   0.839096D-01 -0.393291D-02  0.189928D+01  0.325028D-01  0.183324D+01
      2   0.191151D+01 -0.624406D+00  0.325028D-01 -0.106756D+01  0.363418D+01
      3  -0.624406D+00  0.228344D+01  0.183324D+01  0.363418D+01  0.233614D+00
                91            92            93            94            95 
      1   0.513275D+01 -0.174615D+00 -0.255171D+00  0.634659D+01 -0.199095D+00
      2  -0.174615D+00 -0.311673D+01  0.241371D+00 -0.199095D+00  0.108280D+01
      3  -0.255171D+00  0.241371D+00 -0.103627D+01  0.188974D+00 -0.729718D+00
                96            97            98            99           100 
      1   0.188974D+00  0.102871D+00  0.628117D+00 -0.236432D+01 -0.674861D+01
      2  -0.729718D+00  0.628117D+00 -0.553722D+00  0.411976D+01  0.508732D-01
      3   0.268989D+01 -0.236432D+01  0.411976D+01  0.188338D+01 -0.535799D+00
               101           102           103           104           105 
      1   0.508732D-01 -0.535799D+00  0.703018D+00  0.104535D+01  0.589597D+00
      2  -0.357939D+01 -0.230246D-01  0.104535D+01 -0.460005D+00 -0.274038D+00
      3  -0.230246D-01 -0.332940D+01  0.589597D+00 -0.274038D+00 -0.907915D-01
               106           107           108           109           110 
      1  -0.280855D+00  0.754397D+00 -0.575499D+01  0.370573D+01 -0.265469D+00
      2   0.754397D+00  0.331280D+00  0.122571D+00 -0.265469D+00 -0.348168D+01
      3  -0.575499D+01  0.122571D+00  0.111172D+01 -0.539285D+00 -0.716378D+00
               111           112           113           114           115 
      1  -0.539285D+00 -0.681658D+01  0.552027D+00  0.622766D+00 -0.160988D+01
      2  -0.716378D+00  0.552027D+00 -0.268249D+00  0.744755D+00  0.964712D-02
      3  -0.178437D+01  0.622766D+00  0.744755D+00 -0.267057D+01 -0.303261D+01
               116           117           118           119           120 
      1   0.964712D-02 -0.303261D+01 -0.531665D+01  0.223248D+01  0.157096D+00
      2   0.115860D+01 -0.380640D+01  0.223248D+01  0.367383D+01 -0.588420D-01
      3  -0.380640D+01 -0.408287D+00  0.157096D+00 -0.588420D-01  0.153888D+01
               121           122           123           124           125 
      1  -0.805279D+01  0.744643D+00 -0.339083D+00 -0.194295D-01 -0.445636D+00
      2   0.744643D+00 -0.175212D+01  0.619820D+00 -0.445636D+00  0.233416D-01
      3  -0.339083D+00  0.619820D+00 -0.198371D+01  0.854213D+00 -0.376760D+01
               126           127           128           129           130 
      1   0.854213D+00  0.313884D+01  0.227297D+01  0.118330D-01  0.227612D+01
      2  -0.376760D+01  0.227297D+01  0.231882D+01  0.444124D-01  0.279773D+01
      3  -0.178850D+01  0.118330D-01  0.444124D-01  0.573535D-01  0.125333D+00
               131           132           133           134           135 
      1   0.279773D+01  0.125333D+00 -0.260613D+00  0.118419D+00 -0.777209D-01
      2   0.669037D+01  0.353354D+00  0.118419D+00  0.482683D+00  0.612298D-01
      3   0.353354D+00  0.533726D+00 -0.777209D-01  0.612298D-01  0.266981D-01
               136           137           138           139           140 
      1  -0.295641D+01  0.308883D+01  0.548467D+00  0.277210D+01 -0.425175D+01
      2   0.308883D+01 -0.325457D+01 -0.571157D+00 -0.425175D+01  0.892342D+01
      3   0.548467D+00 -0.571157D+00 -0.440562D+00 -0.630334D+00  0.126293D+01
               141           142           143           144           145 
      1  -0.630334D+00  0.607979D+00 -0.796135D+00 -0.158936D+00 -0.135035D+02
      2   0.126293D+01 -0.796135D+00  0.138214D+01  0.147126D+00  0.426845D+00
      3   0.875082D+00 -0.158936D+00  0.147126D+00  0.120148D+00  0.118308D+01
               146           147           148           149           150 
      1   0.426845D+00  0.118308D+01  0.465787D+00 -0.164820D+01 -0.228819D+00
      2  -0.704306D+00 -0.314415D-01 -0.164820D+01  0.129461D+00  0.143004D+00
      3  -0.314415D-01 -0.859815D+00 -0.228819D+00  0.143004D+00  0.704751D-01
               151           152           153           154           155 
      1   0.130203D+01 -0.223225D+00  0.127487D-01 -0.410302D+01 -0.370279D+01
      2  -0.223225D+00  0.623810D-01  0.254929D-01 -0.370279D+01 -0.372801D+01
      3   0.127487D-01  0.254929D-01  0.996177D-01 -0.992974D-01 -0.839470D-01
               156           157           158           159           160 
      1  -0.992974D-01 -0.351259D+01 -0.474810D+01 -0.351977D+00 -0.171956D+00
      2  -0.839470D-01 -0.474810D+01 -0.801400D+01 -0.486712D+00 -0.163990D+00
      3  -0.426740D+00 -0.351977D+00 -0.486712D+00 -0.681415D+00  0.932866D-02
               161           162           163           164           165 
      1  -0.163990D+00  0.932866D-02  0.199552D+01 -0.184224D+01 -0.299909D+00
      2  -0.568114D+00 -0.103519D+00 -0.184224D+01  0.235722D+01  0.502015D+00
      3  -0.103519D+00 -0.657010D-01 -0.299909D+00  0.502015D+00  0.343198D+00
               166           167           168           169           170 
      1  -0.170073D+01  0.238434D+01  0.418468D+00 -0.435989D+00  0.545800D+00
      2   0.238434D+01 -0.791252D+01 -0.119233D+01  0.545800D+00 -0.109208D+01
      3   0.418468D+00 -0.119233D+01 -0.914608D+00  0.665005D-01 -0.271155D+00
               171 
      1   0.665005D-01
      2  -0.271155D+00
      3  -0.240520D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.168204D+01  0.125009D+01  0.330680D+01 -0.263258D+01  0.715969D+00
      2   0.124671D+01 -0.325210D+01  0.104590D+02  0.125215D+00  0.320224D+01
      3   0.231077D+01 -0.110012D+02  0.210076D+01 -0.186126D+01  0.938267D+01
                 6             7             8             9            10 
      1  -0.671513D+01 -0.679030D+00  0.148207D+01 -0.856486D+01 -0.482924D+00
      2  -0.148606D+01  0.395277D+01 -0.105045D+01 -0.124167D+02  0.190726D+01
      3  -0.236765D+01  0.204556D+01 -0.142624D+01  0.879629D+00 -0.236275D+01
                11            12            13            14            15 
      1   0.340450D+00 -0.702923D-01  0.332345D+01  0.204480D+01 -0.414789D+00
      2   0.391697D+00 -0.272500D+01 -0.101040D+01 -0.436818D+01  0.379341D+01
      3   0.339198D+01  0.171086D+00  0.169023D+02  0.141701D+01  0.243653D+01
                16            17            18            19            20 
      1   0.477775D+00  0.380714D+01 -0.132744D+01  0.327183D+00 -0.422952D+00
      2  -0.122134D+02  0.530388D+01  0.123079D+02  0.308392D+01  0.372328D+00
      3   0.617305D+00  0.406205D+01 -0.807292D+01  0.130183D+01  0.116550D+01
                21            22            23            24            25 
      1  -0.239367D+01 -0.199398D+00  0.146112D+01  0.168958D+00  0.961166D+00
      2  -0.388936D+01 -0.137596D+01  0.107992D+01  0.756689D+00 -0.270657D+01
      3  -0.107302D+01  0.107049D+01  0.811120D+00 -0.769188D+00 -0.268817D+00
                26            27            28            29            30 
      1   0.846613D+00  0.114222D+02 -0.232197D+00 -0.151906D+01  0.866232D-01
      2  -0.312934D+01  0.168362D+02 -0.241072D+01  0.692234D+00  0.342126D+01
      3  -0.304036D+01  0.380573D+01  0.616898D+00 -0.371343D+01 -0.436624D+00
                31            32            33            34            35 
      1  -0.203171D+01  0.108221D+01 -0.882820D+00  0.653525D-01  0.242458D+01
      2   0.376075D+00 -0.516064D+00 -0.356871D+01  0.137279D+01 -0.321930D+01
      3  -0.239427D+01  0.205060D+01  0.236705D+01 -0.438196D+00  0.281086D+01
                36            37            38            39            40 
      1  -0.334505D+00 -0.216922D+01 -0.440888D+00 -0.288111D+01 -0.958738D+00
      2  -0.138129D+02  0.343077D+01  0.182467D+00  0.694421D+01  0.106419D+01
      3   0.436899D+01 -0.187816D+02 -0.101902D+02  0.262361D+01 -0.200099D+01
                41            42            43            44            45 
      1  -0.456704D+01  0.363922D+01  0.126918D+01  0.780504D+01  0.412065D+01
      2   0.594248D+01 -0.110210D+02 -0.168733D+01 -0.117920D+02 -0.100905D+02
      3   0.738424D+01 -0.650458D+01  0.210537D+01 -0.611362D+01  0.152143D+02
                46            47            48            49            50 
      1   0.954469D+00  0.132330D+01  0.156618D+01  0.374117D+01 -0.191998D+01
      2  -0.202545D+01 -0.774876D+00 -0.160284D+00 -0.964059D+00 -0.643672D+00
      3   0.822927D+01  0.657730D+01  0.110952D+00  0.181876D+02  0.970654D+00
                51            52            53            54            55 
      1   0.211179D+01  0.445602D+00  0.114307D+02  0.114588D+01 -0.482127D+00
      2  -0.702113D+00 -0.148937D+02 -0.659429D+00 -0.111387D+00  0.284376D+01
      3  -0.163684D+00 -0.229009D+01 -0.294549D+01  0.428419D+00 -0.942879D+00
                56            57            58            59            60 
      1  -0.136687D+00  0.885517D+00 -0.159305D+00 -0.131975D+01 -0.425668D+01
      2  -0.196268D+00 -0.127142D+01 -0.659479D+00  0.288464D+01  0.502781D+01
      3   0.157809D+01  0.145078D+01  0.220801D+01 -0.508957D+01 -0.314903D+01
                61            62            63            64            65 
      1  -0.763160D+00 -0.737413D+00 -0.908261D+01  0.305470D+00 -0.517684D-01
      2  -0.173338D+01  0.623224D+01  0.164096D+02 -0.231167D+01  0.678988D+00
      3   0.143178D+01 -0.569212D+01 -0.751576D+01 -0.289831D+01  0.279477D+01
                66            67            68            69            70 
      1   0.136799D+01  0.187968D+00  0.159498D+01 -0.505487D+01  0.359478D+00
      2  -0.139104D+01  0.832340D+00 -0.637895D+01  0.648981D+01 -0.191818D+01
      3  -0.220967D+01  0.410600D+01 -0.152437D+02  0.783457D+01 -0.203525D+01
                71            72            73            74            75 
      1  -0.143926D+01  0.400392D+01  0.215227D+00 -0.355366D+00 -0.124246D+01
      2   0.623446D+01 -0.704263D+01 -0.564040D+00  0.314437D+00  0.573923D+01
      3   0.926641D+01 -0.826447D+01  0.140783D+02 -0.600297D+01 -0.112495D+01
                76            77            78            79            80 
      1  -0.217751D+00  0.351674D+00 -0.519692D+00 -0.110419D+01  0.505872D+00
      2   0.782441D-01 -0.516142D+00 -0.253057D+00  0.241779D+01  0.115699D+01
      3  -0.293518D+01  0.198079D+01  0.960744D+00 -0.120473D+01  0.140216D+01
                81            82            83            84            85 
      1  -0.175437D+00 -0.147224D+01  0.495064D+00 -0.378565D+01  0.964550D+00
      2   0.169341D+00 -0.285976D+01 -0.466564D-01 -0.214155D+01  0.297156D+01
      3  -0.457847D+00 -0.640940D+01  0.183654D+00  0.148306D+01  0.484808D+01
                86            87            88            89            90 
      1   0.319582D+00 -0.257776D+01 -0.631269D+01  0.231254D+01  0.903057D+00
      2  -0.423894D+00 -0.243777D+00 -0.137063D+02 -0.647623D-01  0.642009D+00
      3   0.455802D+01 -0.769670D+00  0.181817D+01 -0.126058D-02  0.523341D+01
                91            92            93            94            95 
      1   0.235644D+01 -0.944119D+00  0.240851D+01  0.198312D+00  0.181856D+00
      2   0.876341D+00  0.423147D+00  0.325918D+00  0.874878D+00  0.230520D+01
      3   0.359563D+01 -0.121107D+02 -0.143704D+01  0.617736D+01  0.178121D+01
                96            97            98            99           100 
      1  -0.376142D+01  0.571359D+01  0.164094D+01 -0.126179D+01 -0.141776D+00
      2  -0.729688D+01 -0.767537D+01 -0.107381D+02 -0.229172D+01 -0.259719D+00
      3  -0.152512D+01  0.162926D+00 -0.828512D+00  0.561303D+01 -0.844493D+00
               101           102           103           104           105 
      1   0.700235D+00  0.781020D+00 -0.279932D-01 -0.203785D+01  0.358702D+01
      2  -0.190174D+00  0.954335D+01 -0.239723D+01  0.289953D+00  0.152313D+00
      3  -0.780963D+01  0.133241D+00  0.125418D+02 -0.342211D+01 -0.196090D+01
               106           107           108           109           110 
      1   0.122808D+01  0.118694D+02  0.161899D+01 -0.148625D+01 -0.287332D+00
      2   0.932361D+01 -0.583046D+00 -0.245354D+01  0.136740D+01  0.212062D+01
      3   0.201503D+01 -0.686156D+00 -0.721180D+00  0.193585D+01 -0.145416D+02
               111           112           113           114           115 
      1  -0.348280D+01  0.135140D+01  0.373549D+00 -0.283570D+01 -0.671161D+01
      2   0.189123D+01 -0.778948D+00 -0.206531D+01  0.703955D+01 -0.513773D+01
      3  -0.165582D+01  0.316259D+01  0.240292D+01  0.138971D+01  0.271027D+00
               116           117           118           119           120 
      1   0.295116D+01  0.121047D+01  0.216583D+00 -0.301955D+00  0.299697D+01
      2   0.107677D+02  0.233217D+01 -0.318791D+01  0.100752D+01 -0.194486D+01
      3   0.328469D+01 -0.456713D+01 -0.235205D+01 -0.879077D+00 -0.149143D+01
               121           122           123           124           125 
      1  -0.137062D+01 -0.368137D+00 -0.329609D+01  0.537045D+01  0.188256D+01
      2   0.413477D+00  0.652659D+00  0.147444D+01 -0.141711D+02  0.128081D+01
      3   0.908619D+00 -0.881934D+01  0.863373D-01 -0.273407D+01  0.438473D+00
               126           127           128           129           130 
      1  -0.150597D+01  0.195110D+00  0.241846D+00 -0.125300D+01 -0.281400D+00
      2   0.188021D+01 -0.643654D+00 -0.138666D+00  0.319049D+00 -0.679574D-01
      3  -0.593073D+01  0.996067D+01  0.469545D+01 -0.522970D-01  0.827212D+01
               131           132           133           134           135 
      1  -0.319850D+00 -0.322611D+01  0.491332D+00  0.183742D+01 -0.698592D-01
      2  -0.465759D+00  0.959556D+00 -0.179625D+01 -0.412471D+00  0.302736D-02
      3   0.702508D+01  0.447180D+00 -0.406436D+00  0.237213D+00 -0.546520D-02
               136           137           138           139           140 
      1  -0.267354D+00  0.157290D+00  0.189656D+01  0.170744D+00  0.135748D+00
      2  -0.547574D+00  0.798856D+00  0.196936D+01  0.625720D+00 -0.212935D+01
      3   0.934792D+00 -0.335607D+01 -0.446725D+00 -0.204620D+01  0.135485D+02
               141           142           143           144           145 
      1  -0.411193D+01 -0.533977D+00  0.192717D+01 -0.355115D+00 -0.149770D+00
      2  -0.300764D+01 -0.479148D+00  0.491851D+00 -0.340897D+00 -0.186775D+01
      3   0.179409D+01 -0.431743D+00  0.167569D+01 -0.231354D-01 -0.398715D+00
               146           147           148           149           150 
      1  -0.351873D+00  0.251974D+00 -0.195846D+00 -0.674382D-03 -0.425259D+00
      2  -0.195304D-01  0.613279D+01  0.824619D+00 -0.287299D+00 -0.381756D+00
      3  -0.519527D+01  0.108317D+00 -0.405604D+01  0.319985D+00  0.363171D+00
               151           152           153           154           155 
      1  -0.591067D-01  0.510181D+00 -0.115577D-01  0.256651D+00  0.452391D+00
      2  -0.302624D+01 -0.164853D-01 -0.514088D+00 -0.498564D+00 -0.415814D+00
      3  -0.907424D+00  0.529362D+00  0.192216D+00 -0.127593D+01 -0.468599D+01
               156           157           158           159           160 
      1  -0.205363D+01 -0.119370D+00  0.145768D+00 -0.364848D+01  0.800906D+00
      2   0.230992D+01  0.181097D+00  0.379422D+00  0.293210D+01 -0.833891D+00
      3  -0.118105D-01 -0.326511D+01 -0.126043D+02 -0.512729D+00 -0.339659D+00
               161           162           163           164           165 
      1   0.160879D+01 -0.158928D+00  0.374684D+00 -0.148660D+00  0.161445D+01
      2  -0.654888D+00  0.151264D+00  0.102184D+01 -0.575887D+00  0.324445D+00
      3  -0.132372D+01 -0.183241D+00 -0.734958D+01  0.419721D+01  0.385227D+00
               166           167           168           169           170 
      1  -0.344095D+00  0.753697D+00 -0.363646D+01 -0.367393D+00  0.223655D+01
      2  -0.111338D+01  0.105811D+01 -0.664692D+00 -0.174421D+01  0.198929D+00
      3   0.682998D+01 -0.780045D+01 -0.135841D+01  0.589242D+00 -0.164944D+01
               171 
      1  -0.204796D+00
      2  -0.255710D+00
      3   0.620256D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174048D+02 -0.268263D+01 -0.106760D+01 -0.561041D+01 -0.207103D+01
      2  -0.798711D+01 -0.309647D+01 -0.272134D+01 -0.123406D+01  0.150119D+02
      3  -0.941769D+01  0.577911D+01  0.378894D+01  0.684447D+01 -0.129409D+02
      4  -0.174878D+02  0.222297D+02 -0.380403D+01  0.292150D+02 -0.262118D+02
      5   0.708955D+01 -0.434808D+01  0.149943D+02 -0.588690D+01  0.703063D+01
      6  -0.321507D+01  0.307326D+01 -0.558428D+01  0.524151D+01 -0.753535D+01
                 6             7             8             9            10 
      1   0.305779D+01  0.468684D+00 -0.810300D+00  0.118135D+02  0.116390D+02
      2  -0.205634D+00  0.171412D+01 -0.291252D+01  0.268740D+01 -0.689634D+01
      3  -0.285216D+01 -0.218281D+01  0.372282D+01 -0.145009D+02 -0.474267D+01
      4   0.735085D+01 -0.627007D+01  0.401996D+01 -0.924969D+01  0.526785D+01
      5  -0.370146D+01  0.126980D+02 -0.669247D+01 -0.182123D+02  0.477472D+01
      6   0.959624D+01 -0.546276D+01  0.534454D+01  0.810083D+01 -0.229436D+01
                11            12            13            14            15 
      1  -0.173839D+01  0.109114D+01 -0.728597D+01 -0.929160D+01  0.915286D+00
      2  -0.177146D+01 -0.201774D+01 -0.737140D+00 -0.159335D+01  0.153658D+01
      3   0.350985D+01  0.926601D+00  0.802311D+01  0.108849D+02 -0.245187D+01
      4  -0.237033D+02  0.455787D+00 -0.353431D+02 -0.236021D+01 -0.520001D+01
      5   0.525112D+00 -0.126505D+02  0.369521D+01 -0.450189D+01  0.932905D+01
      6  -0.213743D+01  0.981403D+00 -0.284744D+01  0.189641D+01 -0.658158D+01
                16            17            18            19            20 
      1  -0.109799D+02  0.211651D+01 -0.153242D+01 -0.510252D+00 -0.218938D+01
      2  -0.743862D+01  0.645140D+01  0.114518D+02 -0.447794D+00  0.113824D+01
      3   0.184185D+02 -0.856791D+01 -0.991938D+01  0.958046D+00  0.105113D+01
      4   0.504853D+01 -0.927905D+01  0.172834D+02  0.148511D-01 -0.215958D+01
      5  -0.175740D+02  0.158678D+02  0.306914D+02  0.129992D+01  0.475027D+00
      6   0.940128D+01  0.108162D+01 -0.669143D+01 -0.634226D-01 -0.152413D+01
                21            22            23            24            25 
      1   0.620144D+01 -0.521967D-01 -0.271605D+01  0.508590D-01  0.596776D+01
      2  -0.309969D+00 -0.987333D+00  0.220764D+01 -0.280049D+01 -0.351429D+01
      3  -0.589147D+01  0.103953D+01  0.508407D+00  0.274963D+01 -0.245347D+01
      4  -0.676135D+00  0.126100D+01 -0.171925D+01  0.214734D+01 -0.562829D+01
      5  -0.442591D+01  0.153937D+00  0.177629D+01  0.141551D+01  0.674283D+01
      6   0.330199D+01  0.549523D+00 -0.167753D+01  0.297871D+01 -0.166037D+01
                26            27            28            29            30 
      1   0.265014D+01 -0.149177D+02  0.606588D+01 -0.945797D+00 -0.448258D+01
      2  -0.103846D+01 -0.935550D+01 -0.698430D+01  0.138209D+01  0.507132D+01
      3  -0.161168D+01  0.242732D+02  0.918428D+00 -0.436295D+00 -0.588745D+00
      4   0.697474D+01 -0.321806D+01 -0.307243D+01  0.763572D+01  0.278090D+01
      5  -0.500154D+01  0.265467D+02 -0.108076D+02  0.271701D+01  0.135698D+02
      6   0.513609D+01 -0.150895D+02  0.279176D+01 -0.281646D+00 -0.140667D+01
                31            32            33            34            35 
      1  -0.309724D+00 -0.248724D+01 -0.259181D+01 -0.314608D+01 -0.341602D+01
      2   0.188443D+01 -0.283714D+00 -0.660815D+00  0.105306D+02 -0.232702D+01
      3  -0.157470D+01  0.277096D+01  0.325262D+01 -0.738453D+01  0.574305D+01
      4   0.108516D+02 -0.578877D+01 -0.570438D+01  0.403257D+01 -0.725036D+01
      5   0.367307D+01 -0.508929D+01 -0.835837D+01  0.204518D+02 -0.885134D+01
      6  -0.203096D+01  0.415127D+01  0.946562D+01 -0.539237D+01  0.577165D+01
                36            37            38            39            40 
      1  -0.102622D+02 -0.555609D+02  0.133897D+01  0.714700D+01  0.173318D+02
      2  -0.167861D+02  0.349616D+02  0.580916D+01 -0.477675D+01 -0.394623D+01
      3   0.270482D+02  0.205993D+02 -0.714813D+01 -0.237025D+01 -0.133855D+02
      4  -0.102033D+02  0.517185D+01  0.212669D+02 -0.841129D-01  0.219256D+02
      5  -0.345546D+02  0.789308D+01 -0.128556D+01  0.100472D+02 -0.804046D+00
      6   0.105311D+02  0.341187D+01 -0.111147D+01  0.642991D+01 -0.137204D+00
                41            42            43            44            45 
      1   0.183219D+02 -0.519432D+01  0.756963D+01 -0.353602D+01  0.170289D+02
      2  -0.712911D+01  0.671481D+01 -0.177375D+01  0.658706D+01 -0.119556D+02
      3  -0.111928D+02 -0.152049D+01 -0.579588D+01 -0.305103D+01 -0.507322D+01
      4   0.373730D+01  0.868845D+01  0.290974D+01  0.102869D+02 -0.176244D+02
      5   0.883338D+01 -0.186601D+02  0.206369D+01 -0.197986D+02 -0.198422D+02
      6   0.899272D+01 -0.119088D+02  0.932443D-01 -0.143486D+02 -0.665503D+01
                46            47            48            49            50 
      1  -0.223062D+02 -0.696112D+00 -0.121721D+01  0.432372D+01 -0.297559D+01
      2   0.769697D+01  0.694499D+00 -0.558989D+00  0.196130D+00  0.107765D+02
      3   0.146092D+02  0.161254D-02  0.177619D+01 -0.451985D+01 -0.780086D+01
      4  -0.114946D+02  0.753443D+01 -0.239905D+00 -0.779602D+01  0.182204D+01
      5  -0.261833D+01 -0.212104D+00  0.352233D+01 -0.196025D+01  0.178476D+00
      6  -0.878753D+00 -0.336274D+00 -0.208277D+01  0.699378D+00  0.190136D+01
                51            52            53            54            55 
      1  -0.267454D-01  0.570264D+01  0.384662D+00 -0.918027D+01  0.388375D+01
      2   0.234214D+01 -0.223259D+01  0.352475D+00 -0.401057D+01 -0.283724D+01
      3  -0.231540D+01 -0.347005D+01 -0.737137D+00  0.131908D+02 -0.104650D+01
      4   0.677563D+00 -0.691288D+00  0.281642D+01 -0.170564D+01  0.468917D+00
      5  -0.203660D+01  0.479337D+01 -0.186803D+01 -0.139831D+00  0.223631D+01
      6  -0.425371D+01  0.132013D-01  0.490141D+01 -0.116479D+01  0.222725D+01
                56            57            58            59            60 
      1   0.222850D+01  0.417440D+01  0.156739D+01 -0.679919D+01 -0.441257D+01
      2  -0.208819D+01 -0.117902D+01  0.703264D-01  0.716200D+01  0.451408D+01
      3  -0.140317D+00 -0.299538D+01 -0.163771D+01 -0.362809D+00 -0.101518D+00
      4  -0.148624D+01  0.159237D+01  0.338237D+01  0.868967D+01  0.504605D+01
      5   0.448895D+00 -0.414800D+00  0.671356D+00  0.519762D+01  0.889295D+01
      6  -0.694885D+00 -0.171040D+01  0.689361D+00  0.562674D+01  0.109235D+02
                61            62            63            64            65 
      1   0.783507D+01 -0.409748D+01 -0.127283D+02  0.890530D+00  0.494202D+01
      2  -0.434751D+01  0.406217D+01  0.100609D+00  0.542063D-01 -0.434596D+01
      3  -0.348755D+01  0.353188D-01  0.126276D+02 -0.944736D+00 -0.596053D+00
      4   0.796499D+01  0.105477D+02  0.104626D+02  0.251155D+00 -0.108157D+01
      5   0.676863D+01  0.119600D+02  0.299744D+02 -0.207597D+01  0.347870D+00
      6   0.191500D+01  0.111645D+02  0.191319D+02 -0.254999D+01  0.227398D+01
                66            67            68            69            70 
      1  -0.508477D+01  0.478849D+01 -0.159403D+02  0.885581D+01 -0.610098D+01
      2   0.260602D+01 -0.199219D+01  0.225695D+02 -0.100965D+02  0.275866D+01
      3   0.247875D+01 -0.279629D+01 -0.662920D+01  0.124068D+01  0.334232D+01
      4  -0.823028D+00  0.706513D+01  0.242946D+02 -0.116038D+02 -0.673187D+01
      5  -0.105802D+01 -0.160247D+01 -0.120202D+02  0.126581D+02  0.383220D+01
      6  -0.298376D+01 -0.102782D+01 -0.138090D+02  0.129309D+02  0.106854D+01
                71            72            73            74            75 
      1   0.896415D+01 -0.119452D+02  0.880462D+02  0.999747D+00 -0.540828D+01
      2  -0.938833D+01  0.562153D+01 -0.474953D+02  0.162185D+01  0.356320D+01
      3   0.424185D+00  0.632371D+01 -0.405509D+02 -0.262160D+01  0.184508D+01
      4  -0.154417D+02  0.117165D+02  0.180996D+02  0.106188D+02 -0.103519D+01
      5   0.129470D+02 -0.130205D+02 -0.796180D+01 -0.103560D+00  0.106386D+02
      6   0.137776D+02 -0.132557D+02 -0.193405D+01 -0.296191D+00  0.251886D+01
                76            77            78            79            80 
      1  -0.139384D+02  0.526553D+01  0.115893D+01 -0.605241D+01  0.409636D+00
      2   0.958248D+01 -0.222577D+01 -0.126924D+01  0.407464D+01 -0.102534D+01
      3   0.435597D+01 -0.303976D+01  0.110304D+00  0.197777D+01  0.615700D+00
      4   0.753651D+01 -0.120986D+01 -0.141380D+01 -0.161864D+01 -0.243184D+01
      5   0.854392D+00 -0.162238D+01 -0.898021D+00  0.126383D+02  0.205430D+01
      6  -0.199714D+00 -0.578142D+00  0.165240D+01  0.185303D+01  0.255703D+01
                81            82            83            84            85 
      1   0.617373D+01  0.709561D+01 -0.161204D+02 -0.252017D+01  0.109364D+01
      2  -0.446026D+01 -0.614128D+01  0.111806D+02  0.819057D+00 -0.121920D+02
      3  -0.171347D+01 -0.954335D+00  0.493984D+01  0.170112D+01  0.110983D+02
      4   0.299758D+01 -0.550727D+01 -0.155664D+02  0.604223D+00  0.448659D+01
      5  -0.156305D+01 -0.146623D+01  0.904664D+00 -0.379798D+01  0.854140D+00
      6   0.243673D+00  0.277477D+01  0.669226D+00  0.813304D+01 -0.440270D+01
                86            87            88            89            90 
      1   0.116191D+01  0.124699D+01 -0.718430D+00  0.420585D+01 -0.152600D+02
      2  -0.633099D+01 -0.161885D+01 -0.778030D+00 -0.500801D+01  0.297811D+01
      3   0.516908D+01  0.371865D+00  0.149646D+01  0.802160D+00  0.122819D+02
      4  -0.130912D+02 -0.131049D+01 -0.929051D+00  0.260811D+01 -0.325963D+01
      5  -0.129309D+01  0.144925D+01  0.290662D+01 -0.399126D+01  0.195510D+01
      6  -0.204601D+01  0.696655D+01  0.377215D+01  0.148634D+02 -0.151171D+01
                91            92            93            94            95 
      1   0.111384D+01  0.210941D+02  0.101123D+00 -0.276175D+02  0.931994D+01
      2  -0.225815D+01 -0.128050D+02 -0.105723D+00  0.270141D+02 -0.152709D+02
      3   0.114430D+01 -0.828904D+01  0.460017D-02  0.603348D+00  0.595094D+01
      4   0.122470D+02 -0.423887D+01 -0.482392D+01  0.802466D+01  0.680239D+01
      5   0.338262D+01 -0.497596D+01 -0.547905D+00 -0.960150D+00  0.452074D+01
      6  -0.513028D+01  0.378062D+01 -0.600019D+01  0.343072D+01 -0.676008D+01
                96            97            98            99           100 
      1   0.868147D+00 -0.104190D+01 -0.339220D+01 -0.485345D+01 -0.104952D+02
      2  -0.489567D+01  0.433223D+01 -0.264327D+01 -0.453852D+01  0.520683D+01
      3   0.402752D+01 -0.329033D+01  0.603547D+01  0.939197D+01  0.528832D+01
      4   0.453227D+01 -0.517525D+01  0.739665D+01 -0.170145D+02  0.140219D+01
      5  -0.152862D+02  0.151547D+02 -0.166701D+02 -0.530964D+01  0.841462D+01
      6   0.815303D+01 -0.683483D+01  0.159906D+02  0.322343D+01  0.325994D+00
               101           102           103           104           105 
      1   0.189138D+01  0.657486D+01 -0.264399D+01 -0.199633D+02 -0.345629D+01
      2  -0.129998D+01 -0.350367D+01  0.205671D+01  0.183686D+02  0.617104D+01
      3  -0.591401D+00 -0.307119D+01  0.587287D+00  0.159469D+01 -0.271475D+01
      4   0.255885D+02  0.239364D+00 -0.229466D+02  0.551971D+01  0.325679D+01
      5   0.193154D+00  0.216217D+02 -0.722244D+01  0.253090D+01 -0.206671D-02
      6  -0.533239D+00 -0.152982D+01  0.320890D+01  0.218125D+01 -0.783289D+01
               106           107           108           109           110 
      1   0.907308D+01 -0.416349D+01  0.153933D+02  0.177752D+01 -0.226616D+02
      2  -0.326391D+01  0.339089D+01 -0.197666D+02 -0.405613D+01  0.122451D+02
      3  -0.580917D+01  0.772606D+00  0.437332D+01  0.227862D+01  0.104165D+02
      4  -0.750270D+01 -0.127504D+01 -0.839155D+00 -0.177468D+02  0.170196D+01
      5   0.377781D+02 -0.247821D+00 -0.515794D+01  0.169761D+00  0.462653D+01
      6  -0.941487D+00  0.552277D+01 -0.277668D+01  0.323166D+01  0.251620D+01
               111           112           113           114           115 
      1  -0.346433D+01  0.280709D+02  0.610540D+01  0.898058D+00  0.580918D+01
      2  -0.347155D+00 -0.281124D+02 -0.122213D+02 -0.707643D+00 -0.594397D+01
      3   0.381148D+01  0.415742D-01  0.611593D+01 -0.190415D+00  0.134784D+00
      4   0.457222D+01  0.498425D+01 -0.140010D+02 -0.583809D+01  0.200756D+01
      5   0.393828D+01 -0.179945D+01 -0.525899D+01  0.152402D+02  0.194817D+02
      6   0.754099D+01 -0.466907D+01 -0.335531D+01  0.750332D+01  0.805705D+01
               116           117           118           119           120 
      1   0.510350D+01 -0.517418D-01  0.896521D+01  0.124516D+02 -0.934621D-01
      2  -0.612667D+01 -0.711584D+01 -0.668141D+01 -0.787285D+01  0.195031D+01
      3   0.102317D+01  0.716758D+01 -0.228380D+01 -0.457875D+01 -0.185685D+01
      4  -0.416746D+01  0.162316D+02  0.102981D+02 -0.190769D+02 -0.300119D+01
      5   0.166446D+02  0.503183D+01 -0.855332D+00 -0.330817D+01 -0.517745D+01
      6   0.147203D+02 -0.129383D+01 -0.224161D+01  0.158680D+01 -0.609959D+01
               121           122           123           124           125 
      1  -0.288968D+01  0.557581D+01  0.382562D+01 -0.167806D+01 -0.122393D-01
      2   0.101431D+02 -0.110306D+02 -0.429475D+01  0.296675D+01 -0.411218D+01
      3  -0.725344D+01  0.545479D+01  0.469133D+00 -0.128869D+01  0.412442D+01
      4   0.100896D+02  0.139886D+02  0.178743D+01  0.213446D+01  0.335342D+01
      5   0.931651D+00  0.162279D+01  0.254145D+00 -0.802820D+00  0.565670D+01
      6   0.383508D+01 -0.655126D+01  0.618346D+01 -0.380186D+01  0.142453D+02
               126           127           128           129           130 
      1  -0.171366D+02 -0.247757D+01 -0.599725D+01 -0.462247D-01 -0.807475D+01
      2   0.237802D+01  0.560196D+01  0.912435D+01  0.252984D+00  0.116411D+02
      3   0.147586D+02 -0.312439D+01 -0.312710D+01 -0.206759D+00 -0.356635D+01
      4   0.576745D+01  0.847789D+01  0.774054D+01  0.288918D+00  0.725426D+01
      5   0.474979D+01  0.342624D+00  0.464350D+00  0.944353D+00  0.551179D+00
      6   0.474509D+01 -0.323904D+00 -0.159021D+00  0.104884D+01  0.624175D+00
               131           132           133           134           135 
      1  -0.241809D+02 -0.127794D+01 -0.100544D+01 -0.178154D+01 -0.673895D+00
      2   0.334891D+02  0.124657D+01  0.983983D+00  0.220068D+01  0.123769D+01
      3  -0.930818D+01  0.313693D-01  0.214567D-01 -0.419138D+00 -0.563797D+00
      4   0.643781D+01  0.240218D+00  0.325043D+00 -0.298512D+00  0.115790D+01
      5   0.898967D+00  0.931648D+00  0.430491D+00  0.680843D+00  0.193705D-01
      6   0.149585D+01  0.472140D+01  0.432755D+00  0.115794D+01  0.560821D+00
               136           137           138           139           140 
      1   0.840517D+01 -0.681423D+01 -0.908472D+00 -0.857391D+00 -0.106609D+02
      2   0.282687D+01 -0.496895D+01 -0.241801D+00 -0.119578D+02  0.338573D+02
      3  -0.112320D+02  0.117832D+02  0.115027D+01  0.128151D+02 -0.231964D+02
      4  -0.235247D+02  0.271648D+02  0.424423D+01  0.290371D+02 -0.502405D+02
      5  -0.352253D+01  0.381047D+01  0.456362D+01  0.376454D+01 -0.593554D+01
      6   0.281808D+01 -0.324201D+01 -0.267934D+01 -0.393958D+01  0.816623D+01
               141           142           143           144           145 
      1  -0.158963D+01 -0.743009D+00 -0.667621D+00 -0.566124D+00  0.103169D+03
      2   0.328630D+01 -0.146677D+01  0.384790D+01  0.173085D+01 -0.593499D+02
      3  -0.169667D+01  0.220978D+01 -0.318028D+01 -0.116472D+01 -0.438188D+02
      4  -0.684748D+01  0.545087D+01 -0.817495D+01 -0.226901D+01 -0.608032D+01
      5  -0.473639D+01  0.166810D+01 -0.159385D+01 -0.125164D+01 -0.107346D+02
      6   0.711150D+01 -0.155977D+01  0.269573D+01  0.172187D+01 -0.113247D+01
               146           147           148           149           150 
      1  -0.291369D+01 -0.759149D+01 -0.269989D+01  0.971873D+01  0.101165D+01
      2   0.139519D+01  0.516247D+01  0.117026D+01 -0.490170D+01 -0.914258D+00
      3   0.151849D+01  0.242902D+01  0.152962D+01 -0.481703D+01 -0.973896D-01
      4   0.834969D+01  0.413220D+00  0.156268D+02 -0.152348D+01 -0.123187D+01
      5   0.241240D+00  0.992222D+01  0.187733D+01 -0.114730D+01 -0.594051D+00
      6  -0.527120D+00 -0.118410D+00 -0.908019D+00 -0.123586D+00  0.177574D+01
               151           152           153           154           155 
      1  -0.976766D+01  0.118252D+01  0.282968D+01  0.158122D+02  0.112301D+02
      2   0.579505D+01 -0.849160D+00 -0.150139D+01 -0.365252D+00  0.320740D+01
      3   0.397260D+01 -0.333355D+00 -0.132829D+01 -0.154470D+02 -0.144375D+02
      4   0.235690D+01 -0.989015D+00 -0.425712D+00  0.297179D+02  0.306766D+02
      5   0.209476D+01 -0.301071D+00 -0.180708D+01  0.186878D+01  0.139881D+01
      6  -0.436496D-01  0.629766D+00  0.367434D+00  0.319919D+00  0.152941D+00
               156           157           158           159           160 
      1   0.652051D+00  0.551551D+01 -0.160590D+01 -0.424087D-01 -0.846668D+00
      2  -0.149179D+00  0.974642D+01  0.245166D+02  0.575590D+00  0.112459D+01
      3  -0.502871D+00 -0.152619D+02 -0.229107D+02 -0.533182D+00 -0.277921D+00
      4   0.947887D+00  0.334283D+02  0.490980D+02  0.294335D+01  0.116210D+01
      5   0.464487D+01  0.285275D+01  0.384973D+01  0.446382D+01  0.128865D+01
      6   0.254310D+01  0.163465D+01  0.243626D+01  0.571566D+01  0.112587D+01
               161           162           163           164           165 
      1  -0.107077D+01 -0.336204D+00 -0.517325D+01  0.832226D+01  0.221360D+01
      2   0.207012D+01  0.128476D+01  0.627923D+01 -0.104192D+02 -0.164954D+01
      3  -0.999344D+00 -0.948555D+00 -0.110598D+01  0.209693D+01 -0.564060D+00
      4   0.259659D+01  0.194344D+01 -0.519897D+01  0.660878D+01  0.109379D+01
      5   0.107307D+01  0.199632D+00 -0.226308D+00  0.825687D+00  0.137656D+01
      6   0.173904D+01  0.696348D+00  0.186262D+01 -0.320962D+01 -0.230291D+01
               166           167           168           169           170 
      1   0.841898D+01 -0.299795D+02 -0.512770D+01  0.151895D+01 -0.389952D+01
      2  -0.106068D+02  0.394328D+02  0.473724D+01 -0.165672D+01  0.463803D+01
      3   0.218781D+01 -0.945330D+01  0.390457D+00  0.137772D+00 -0.738512D+00
      4   0.522573D+01 -0.293981D+01 -0.317096D+00  0.115441D+01 -0.129250D+01
      5   0.356150D+00  0.429096D+00 -0.361437D+00  0.893724D+00 -0.563871D+00
      6  -0.254751D+01  0.833360D+01  0.661026D+01 -0.730633D+00  0.285269D+01
               171 
      1  -0.160238D+01
      2   0.221214D+01
      3  -0.609758D+00
      4  -0.175136D+01
      5  -0.110620D+01
      6   0.186161D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104941D+03      0.155507D+02      0.173025D+02
   aniso      0.543145D+02      0.804858D+01      0.895525D+01
   xx         0.133309D+03      0.197543D+02      0.219796D+02
   yx         0.130438D+01      0.193289D+00      0.215063D+00
   yy         0.109803D+03      0.162712D+02      0.181041D+02
   zx        -0.279673D+01     -0.414432D+00     -0.461118D+00
   zy         0.274539D+01      0.406824D+00      0.452653D+00
   zz         0.717113D+02      0.106265D+02      0.118236D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104941D+03      0.155507D+02      0.173025D+02
   aniso      0.543145D+02      0.804858D+01      0.895525D+01
   xx         0.113347D+03      0.167963D+02      0.186884D+02
   yx         0.238819D+02      0.353893D+01      0.393759D+01
   yy         0.874959D+02      0.129656D+02      0.144261D+02
   zx        -0.134085D+02     -0.198694D+01     -0.221076D+01
   zy         0.220651D+01      0.326971D+00      0.363804D+00
   zz         0.113981D+03      0.168902D+02      0.187929D+02

 ----------------------------------------------------------------------
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 SUCCESS IS COUNTED SWEETEST
 BY THOSE WHO NE'ER SUCCEED.
 TO COMPREHEND NECTAR
 REQUIRES SOREST NEED.
           EMILY DICKINSON
 Job cpu time:       0 days  1 hours 57 minutes 59.9 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 47.9 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:58:48 2021.
